SCHEMBL3291047

SCHEMBL3291047

CC(C)(C)c1csc(-c2ccc(C=O)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.40
▸ RAB9A P51151 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ POLB P06746 4/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ NPC1 O15118 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ SREBF2 Q12772 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ CCR4 P51679 1/20 0.36
▸ NTMT1 Q9BV86 1/20 0.35
▸ ATAD2 Q6PL18 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL21774248 0.84 MAPT (0.41) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL8215623 0.81 RAB9A (0.54) MAPTCNR1CNR2ALDH1A1RAB9A
SCHEMBL12622638 0.80 KIF11 (0.47) MAPTCNR1CNR2ALDH1A1RAB9A
SCHEMBL21652162 0.78 KDM4E (0.51) MAPTCNR1CNR2ALDH1A1RAB9A
SCHEMBL21774147 0.78 MAPT (0.47) MAPTALDH1A1RAB9AKMT2AMEN1
SCHEMBL21652327 0.78 SMN1; SMN2 (0.51) MAPTCNR1CNR2ALDH1A1RAB9A
SCHEMBL17124797 0.78 GFER (0.53) MAPTCNR1CNR2ALDH1A1RAB9A
SCHEMBL21620287 0.78 CNR1 (0.42) MAPTCNR1CNR2ALDH1A1RAB9A
SCHEMBL10183532 0.78 KDM4E (0.54) MAPTCNR1CNR2RAB9AKMT2A
SCHEMBL10025209 0.78 SREBF2 (0.54) MAPTALDH1A1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 — — EP disclosed
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 — — EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 — — US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 — — US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 — — WO disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 — — US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 — — US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 — — US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 — — US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 — — US disclosed
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 — — EP disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 — — US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 — — US disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 — — EP disclosed
US-6727264-B1 MELANIN CONCENTRATING HORMONE-1 RECEPTOR ANTAGONISTS; SLEEP, EATING, SEXUAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 — — US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 — — WO disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — WO 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 (4 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 MAPT 4179/4885CNR1 3494/4885CNR2 4269/4885
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 MAPT 3005/4885CNR1 15/4885CNR2 14/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 MAPT 1462/4885CNR1 4526/4885CNR2 4836/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 MAPT 4451/4885CNR1 1089/4885CNR2 1330/4885

“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.

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