SCHEMBL2405931

SCHEMBL2405931

OB(O)c1ccccc1OC1CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.55
LIPE Q05469 2/20 0.46
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
KAT2B Q92831 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
HRH1 P35367 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
HTR1A P08908 3/20 0.38
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
MCHR1 Q99705 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
SCHEMBL29956826 1.00 ENPP2 (0.55) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29955587 0.92 ENPP2 (0.52) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL21979744 0.92 ENPP2 (0.52) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL27043162 0.91 ENPP2 (0.50) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL2552732 0.88 KAT2B (0.56) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL28414854 0.83 ENPP2 (0.41) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL31483706 0.82 ENPP2 (0.40) ENPP2LIPEORAI1ORAI2ORAI3
SCHEMBL29952605 0.81 KAT2B (0.47) ENPP2LIPEKAT2BBAZ2B
SCHEMBL18981913 0.81 ENPP2 (0.38) ENPP2ORAI1ORAI2ORAI3KAT2B
SCHEMBL21767584 0.78 SCD (0.39) LIPEHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-12-25 US disclosed
US-12459942-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2025-11-04 US disclosed
US-12264159-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2025-04-01 US disclosed
US-20250066410-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-02-27 US disclosed
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHR¿DINGER, LLC 2024-11-14 US disclosed
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists ARDELYX, INC. (US) 2024-09-10 US disclosed
US-20240262828-A1 Functionalized Heterocycles as Antiviral Agents ENANTA PHARM INC (US) 2024-08-08 US disclosed
US-11891393-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-06 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
CN-112094266-B Pyrrolopyridinone compound, preparation method, composition and application thereof 中国科学院上海药物研究所 2023-03-21 CN disclosed
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
WO-2008124848-A1 FUSED RING HETEROCYCLE KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-10-16 WO disclosed
EP-1034164-B1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2004-05-19 EP disclosed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US disclosed
EP-1034164-A4 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2001-07-11 EP disclosed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 EP disclosed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 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 (10 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-12459942-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ENPP2 237/4885LIPE 4751/4885ORAI1 2768/4885
US-20240262828-A1 Functionalized Heterocycles as Antiviral Agents HCCS, HAVCR2, HDGF ENPP2 3296/4885LIPE 4333/4885ORAI1 3981/4885
US-20250066410-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, GLP1R ENPP2 1381/4885LIPE 468/4885ORAI1 2688/4885
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, FFAR3 ENPP2 2065/4885LIPE 442/4885ORAI1 3481/4885
US-11891393-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ENPP2 3296/4885LIPE 4333/4885ORAI1 3981/4885
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ENPP2 279/4885LIPE 4755/4885ORAI1 2783/4885
US-20080261921-A1 FUSED RING HETEROCYCLE KINASE MODULATORS MAP3K20, MAP3K19, MAP4K2 ENPP2 1558/4885LIPE 4104/4885ORAI1 4044/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ENPP2 237/4885LIPE 4751/4885ORAI1 2768/4885
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists GPR119, GIPR, GLP1R ENPP2 1381/4885LIPE 468/4885ORAI1 2688/4885
US-12264159-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF ENPP2 3296/4885LIPE 4333/4885ORAI1 3981/4885

“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.