SCHEMBL5826

SCHEMBL5826

OCCc1ccc(Br)cc1F

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.48
PYCR1 P32322 1/20 0.44
DGAT1 O75907 1/20 0.41
CA2 P00918 1/20 0.41
USP28 Q96RU2 1/20 0.39
KDM1A O60341 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
AKR1B1 P15121 3/20 0.38
CHEK1 O14757 1/20 0.38
MTNR1B P49286 1/20 0.37
NAAA Q02083 1/20 0.37
AKR1A1 P14550 1/20 0.36

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
SCHEMBL8828 0.88 CA2 (0.54) PDPK1PYCR1DGAT1CA2USP28
SCHEMBL1599834 0.83 USP28 (0.39) PDPK1PYCR1DGAT1USP28NPC1
SCHEMBL507839 0.83 PYCR1 (0.46) PDPK1PYCR1DGAT1USP28KDM1A
SCHEMBL20465747 0.83 PYCR1 (0.46) PDPK1PYCR1DGAT1USP28KDM1A
SCHEMBL1819663 0.81 TAAR1 (0.50) PDPK1PYCR1DGAT1KDM1ANPC1
SCHEMBL2298211 0.81 PDPK1 (0.45) PDPK1PYCR1DGAT1KDM1ANPC1
SCHEMBL6542411 0.80 CHEK1 (0.41) USP28CHEK1
Hydrochloric Acid SCHEMBL12476650 0.79 TAAR1 (0.48) PDPK1PYCR1DGAT1KDM1ANPC1
SCHEMBL5404668 0.79 PYCR1 (0.47) PDPK1PYCR1DGAT1KDM1ANPC1
SCHEMBL1311178 0.79 PDPK1 (0.44) PDPK1PYCR1DGAT1KDM1ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230072397-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-09 US disclosed
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
WO-2020078933-A1 PROTEOLYSIS TARGETING CHIMERA (PROTACS) AS DEGRADERS OF SMARCA2 AND/OR SMARCA4 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 WO disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
EP-2744333-B1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-10-05 EP disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
US-7473790-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same PFIZER INC. (US) 2009-01-06 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 EP disclosed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO disclosed
US-7148226-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-12 US disclosed
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2006-08-24 US disclosed
EP-1597246-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2005-11-23 EP disclosed
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2005-08-11 US disclosed
WO-2004074270-A2 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2004-09-02 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 (3 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-20230072397-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 PDPK1 2714/4885PYCR1 2907/4885DGAT1 598/4885
US-20060189681-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, RNASEH1, NSUN3 PDPK1 3015/4885PYCR1 1800/4885DGAT1 486/4885
US-20050176701-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, RNASEH1, NSUN3 PDPK1 3015/4885PYCR1 1800/4885DGAT1 486/4885

“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.