SCHEMBL761996

SCHEMBL761996

CC(C)(C)c1cccc2ncsc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
CA2 P00918 1/20 0.39
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CCR4 P51679 1/20 0.33
MAPT P10636 2/20 0.31
TP53 P04637 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
P2RY1 P47900 1/20 0.31
ATM Q13315 1/20 0.31
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10840507 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10ADORA2AADORA1TDP1
SCHEMBL19738331 0.80 ALDH1A1 (0.34) ALDH1A1HSD17B10
SCHEMBL7627951 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10
SCHEMBL22430427 0.76 ALDH1A1 (0.32) ALDH1A1HSD17B10KIF11
SCHEMBL29324220 0.76 ADORA2A (0.33) ALDH1A1HSD17B10ADORA2AADORA1SLC22A12
SCHEMBL30081471 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10CA2TSHRMAPT
SCHEMBL115601 0.74 ALDH1A1 (0.45) ALDH1A1HSD17B10CA2TSHRMAPT
SCHEMBL24103823 0.73
SCHEMBL20306283 0.73 ALDH1A1 (0.37) ALDH1A1HSD17B10
SCHEMBL12157070 0.72 ADORA2A (0.33) ADORA2AADORA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11787762-B2 Tetralin and tetrahydroquinoline compounds as inhibitors of HIF-2alpha ARCUS BIOSCIENCES, INC. (US) 2023-10-17 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-11208411-B2 Compositions and methods for treating parasitic diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-12-28 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-03-18 US disclosed
US-20100048567-A1 Inhibitors of syk and JAK protein kinases PORTOLA PHARMACEUTICALS INC. (US) 2010-02-25 US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 US disclosed
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS TEIJIN PHARMA LIMITED (JP) 2009-11-26 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-23 US disclosed
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (15 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 ALDH1A1 4344/4885HSD17B10 3229/4885CA2 3279/4885
US-20090105254-A1 VHR PROTEIN TYROSINE PHOSPHATASE INHIBITORS, COMPOSITIONS AND METHODS OF USE PTPRR, PTPRS, PTPRCAP ALDH1A1 3575/4885HSD17B10 3457/4885CA2 2062/4885
US-20090291945-A1 CYSTEINE PROTEASE INHIBITORS CTSE, SPINT2, CTSF ALDH1A1 2506/4885HSD17B10 2942/4885CA2 70/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP ALDH1A1 252/4885HSD17B10 57/4885CA2 3102/4885
US-11787762-B2 Tetralin and tetrahydroquinoline compounds as inhibitors of HIF-2alpha HIF1AN, HIF1A, EGLN2 ALDH1A1 2241/4885HSD17B10 1411/4885CA2 813/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885HSD17B10 120/4885CA2 4029/4885
US-11208411-B2 Compositions and methods for treating parasitic diseases LIPA, LSS, LIPC ALDH1A1 896/4885HSD17B10 798/4885CA2 1393/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 ALDH1A1 3223/4885HSD17B10 1768/4885CA2 3037/4885
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 ALDH1A1 2169/4885HSD17B10 1174/4885CA2 648/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI ALDH1A1 1571/4885HSD17B10 1896/4885CA2 25/4885
US-20100048567-A1 Inhibitors of syk and JAK protein kinases SYK, BTK, JAK1 ALDH1A1 3700/4885HSD17B10 2839/4885CA2 3649/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 ALDH1A1 1758/4885HSD17B10 4418/4885CA2 3907/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885HSD17B10 120/4885CA2 4029/4885
US-20100068211-A1 USE OF ANTIRESORPTIVE COMPOUNDS TO PREVENT IONIZING RADIATION-INDUCED ACTIVATION OF OSTEOCLASTS AND RESULTING BONE LOSS CTSA, SOST, CTSB ALDH1A1 4434/4885HSD17B10 4811/4885CA2 1461/4885
US-20080004267-A1 Human protein tyrosine phosphatase inhibitors and methods of use PTPRCAP, PTPRC, PPP5C ALDH1A1 4349/4885HSD17B10 2348/4885CA2 2212/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.