SCHEMBL3753583

SCHEMBL3753583

CSCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.61
LIPG Q9Y5X9 12/20 0.61
F11 P03951 2/20 0.53
ESR2 Q92731 1/20 0.49
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
F2 P00734 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CXCR2 P25025 1/20 0.40

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
SCHEMBL24008883 0.82 LIPG (0.67) LPLLIPGF11ESR2CA1
SCHEMBL10006068 0.80 LIPG (0.81) LPLLIPGF11ESR2CA1
SCHEMBL15432466 0.80 LPL (0.69) LPLLIPGF11ESR2CA1
SCHEMBL21928109 0.80 LIPG (0.60) LPLLIPGF11ESR2
SCHEMBL228212 0.79 LPL (0.71) LPLLIPGF11ESR2CA1
SCHEMBL11300523 0.79 LPL (0.72) LPLLIPGF11ESR2CA1
SCHEMBL24008884 0.78 LIPG (0.51) LPLLIPGF11ESR2CA1
SCHEMBL257870 0.78 LIPG (0.56) LPLLIPGF11ESR2CXCR2
SCHEMBL1036383 0.78 LIPG (0.61) LPLLIPGF11ESR2CA1
SCHEMBL2574495 0.77 LPL (0.65) LPLLIPGF11ESR2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4637754-A2 SELECTIVE BET INHIBITORS AND USES THEREOF Tay Therapeutics Limited (GB) 2025-10-29 EP disclosed
WO-2024137264-A1 POLYPHENOLIC BORONATES AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN, INC. (US) 2024-06-27 WO disclosed
WO-2024138201-A2 SELECTIVE BET INHIBITORS AND USES THEREOF Tay Therapeutics Limited (GB) 2024-06-27 WO disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-02-02 US disclosed
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-01-05 US disclosed
WO-2021257614-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-12-23 WO disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 WO disclosed
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE 2015-08-20 US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8193189-B2 Quinoxaline derivatives as tyrosine kinase activity inhibitors NOVARTIS AG (CH) 2012-06-05 US disclosed
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2010-11-25 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors NOVARTIS AG 2010-07-01 US disclosed
EP-2200436-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2010-06-30 EP disclosed
WO-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed
WO-2008148867-A2 QUINOXALINE DERIVATIVES AS INHIBITORS OF THE TYROSINE KINASE ACTIVITY OF JANUS KINASES NOVARTIS AG (CH) 2008-12-11 WO disclosed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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 (7 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-20230036933-A1 HETEROCYCLIC INHIBITORS OF ENPP1 ENPP1, ENPP3, ENPP2 LPL 380/4885LIPG 189/4885F11 4198/4885
US-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 LPL 1272/4885LIPG 339/4885F11 3251/4885
US-20230002406-A1 IMINO SULFANONE INHIBITORS OF ENPP1 ENPP1, ENPP3, SMPD1 LPL 1272/4885LIPG 339/4885F11 3251/4885
US-20100168062-A1 Quinoxaline Derivatives as Tyrosine Kinase Activity Inhibitors JAK2, JAK1, JAK3 LPL 4859/4885LIPG 4230/4885F11 2739/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 LPL 1800/4885LIPG 3612/4885F11 558/4885
US-20100298312-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 LPL 4544/4885LIPG 4205/4885F11 4864/4885
US-20150232429-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS MAP3K20, MAP3K5, MAP3K7 LPL 4544/4885LIPG 4205/4885F11 4864/4885

“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.