SCHEMBL3786247

SCHEMBL3786247

CC(C)Cc1cccc(B(O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.60
LPL P06858 2/20 0.54
LIPG Q9Y5X9 2/20 0.54
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
MGLL Q99685 2/20 0.42
EPHX1 P07099 1/20 0.40
PNMT P11086 1/20 0.39
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL4051196 0.87 ENPP2 (0.58) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL20780633 0.84 ENPP2 (0.55) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL21125600 0.81 LPL (0.60) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL4618032 0.81 ENPP2 (0.51) ENPP2LPLLIPGMGLLEPHX1
SCHEMBL29165967 0.79 ENPP2 (0.53) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL8539519 0.79 GABRA1 (0.50) GABRA1GABRB2PNMT
SCHEMBL692342 0.78 ENPP2 (0.67) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL6358240 0.78 ENPP2 (0.51) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL29950926 0.78 ENPP2 (0.51) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL5872608 0.77 ENPP2 (0.72) ENPP2LPLLIPGKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 WO disclosed
US-20240107872-A1 Metal complexes UDC IRELAND LIMITED (IE) 2024-03-28 US disclosed
EP-3341385-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-03-11 EP disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-20170327517-A1 Boronic Acid Inhibitors of HIV Protease NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-16 US disclosed
US-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 US disclosed
US-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2017-10-26 US disclosed
US-9738664-B2 Boronic acid inhibitors of HIV protease WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2017-08-22 US disclosed
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS SYNTRIX BIOSYSTEMS, INC. (US) 2014-07-24 US disclosed
US-8748623-B2 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2014-06-10 US disclosed
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators SYNTRIX BIOSYSTEMS, INC. (US) 2010-08-19 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 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 (6 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-20170305893-A1 HETEROCYCLIC COMPOUNDS AS DCTPP1 MODULATORS DCTPP1, ENPP1, PPA1 ENPP2 274/4885LPL 2499/4885LIPG 3346/4885
US-20140206647-A1 PYRIMIDINECARBOXAMIDES AS CXCR2 MODULATORS CXCR2, CXCR1, CXCR3 ENPP2 277/4885LPL 3097/4885LIPG 2110/4885
US-20100210593-A1 Pyridine- and Pyrimidinecarboxamides as CXCR2 Modulators CXCR2, CXCR1, CXCR3 ENPP2 250/4885LPL 3723/4885LIPG 2689/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ENPP2 1920/4885LPL 3816/4885LIPG 3010/4885
US-20170327517-A1 Boronic Acid Inhibitors of HIV Protease PREP, DNPEP, PEPD ENPP2 892/4885LPL 2408/4885LIPG 2171/4885
US-20240107872-A1 Metal complexes MCU, IMMT, SOD1 ENPP2 1910/4885LPL 4017/4885LIPG 3665/4885

“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.