SCHEMBL42550

SCHEMBL42550

COc1ccc(B(O)O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 6/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
ENPP2 Q13822 2/20 0.48
CYP1A2 P05177 2/20 0.43
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41

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
SCHEMBL29904242 1.00 CPS1 (0.49) CPS1CA1CA2ENPP2CYP1A2
SCHEMBL257633 0.88 SMN1; SMN2 (0.51) CPS1ENPP2KDM4ESMN1; SMN2
SCHEMBL14634405 0.85 NPC1 (0.47) CA1CA2ENPP2SMN1; SMN2
SCHEMBL931782 0.83 CA1 (0.48) CPS1CA1CA2ENPP2CYP1A2
SCHEMBL29454619 0.83 CA1 (0.48) CPS1CA1CA2ENPP2CYP1A2
SCHEMBL258021 0.80 SOS1 (0.46) CA1CA2
SCHEMBL10269426 0.79 ENPP2 (0.44) ENPP2
SCHEMBL29636290 0.79 ALDH1A1 (0.44) CPS1MEN1ALDH1A1GAAKMT2A
SCHEMBL3851173 0.79 PDE2A (0.44) MAPT
SCHEMBL20659060 0.79 ALDH1A1 (0.44) CPS1MEN1ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978331-B Preparation method of FLT3 and FGFR kinase inhibitor 上海再极医药科技有限公司 2023-06-20 CN claimed
CN-115417817-A Preparation method of 4-amino-4-phenylisoquinoline-1,3-diketone derivative 徐州医科大学 2022-12-02 CN claimed
CN-111978331-A Preparation method of FLT3 and FGFR kinase inhibitor 上海再极医药科技有限公司 2020-11-24 CN claimed
CN-105330642-A Selenophen compound INOR WUHAN PHARMACEUTICAL CO LTD 2016-02-17 CN claimed
CN-122055371-A Faster automated iterative C-C bond formation 伊利诺伊大学评议会 2026-05-15 CN disclosed
US-20260103459-A1 SUBSTITUTED AZACYLES AS TRPM8 MODULATORS GIVAUDAN SA (CH) 2026-04-16 US disclosed
US-20260092045-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2026-04-02 US disclosed
EP-4482583-B1 ZWITTERIONIC ANTIBACTERIAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2026-04-01 EP disclosed
US-12528801-B2 Substituted azacyles as TRPM8 modulators GIVAUDAN SA (CH) 2026-01-20 US disclosed
US-20250368605-A1 Novel Substituted 6,7-Dihydro-5H-Benzo[7]Annulene Compounds, Processes for their Preparation and Therapeutic Uses Thereof SANOFI (FR) 2025-12-04 US disclosed
US-20250340562-A1 CHROMANE IMAGING LIGANDS MASSACHUSETTS GEN HOSPITAL (US) 2025-11-06 US disclosed
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS TAKEDA DEVELOPMENT CENTER AMERICAS, INC. 2025-11-06 US disclosed
US-6010981-A 1-alkyl-4-benzoyl-5-hydroxypyrazole compounds and their use as herbicides DOW AGROSCIENCES LLC (US) 2000-01-04 US disclosed
EP-0914317-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES Dow AgroSciences LLC (US) 1999-05-12 EP disclosed
WO-1998052926-A2 1-ALKYL-4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 1998-11-26 WO disclosed
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed
US-5714087-A CONTAINING LIQUID CRYSTAL MIXTURE OF SPECIFIED COMPONENTS INCLUDING OPTICALLY ACTIVE COMPONENT MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-02-03 US disclosed
EP-0713515-B1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1997-11-26 EP disclosed
EP-0713515-A1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GmbH (DE) 1996-05-29 EP disclosed
WO-1995004789-A1 SUPERTWIST LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1995-02-16 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 (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-20260103459-A1 SUBSTITUTED AZACYLES AS TRPM8 MODULATORS TRPM8, TRPM7, TRPM5 CPS1 1652/4885CA1 739/4885CA2 184/4885
US-20250368605-A1 Novel Substituted 6,7-Dihydro-5H-Benzo[7]Annulene Compounds, Processes for their Preparation and Therapeutic Uses Thereof CYP19A1, ESR1, ESR2 CPS1 2797/4885CA1 1947/4885CA2 3145/4885
US-20250340562-A1 CHROMANE IMAGING LIGANDS GRM2, GRM1, GRIA2 CPS1 3291/4885CA1 1221/4885CA2 1207/4885
US-20260092045-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS TFPI, F3, BTK CPS1 2874/4885CA1 4145/4885CA2 2474/4885
US-12528801-B2 Substituted azacyles as TRPM8 modulators TRPM8, TRPM7, TRPM4 CPS1 2743/4885CA1 785/4885CA2 240/4885
US-20250340563-A1 FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 CPS1 4621/4885CA1 4754/4885CA2 4496/4885

“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.