SCHEMBL21392313

SCHEMBL21392313

CCC(F)(C(=O)OC)c1ccnc(NS(C)(=O)=O)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 11/20 0.44
MAPK1 P28482 1/20 0.41
SYK P43405 3/20 0.39
PKM P14618 1/20 0.38
FASN P49327 1/20 0.37

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
SCHEMBL21381609 0.85 CTPS1 (0.49) CTPS1
SCHEMBL21373740 0.81 CTPS1 (0.52) CTPS1MAPK1
SCHEMBL24107224 0.78 MEN1 (0.34) MAPK1SYK
SCHEMBL31515052 0.78 MEN1 (0.34) MAPK1SYK
SCHEMBL24895515 0.76 ALOX15 (0.37) MAPK1
SCHEMBL29791215 0.76 ALOX15 (0.37) MAPK1
SCHEMBL21373689 0.73 CTPS1 (0.53) CTPS1SYKFASN
SCHEMBL21392311 0.72 CTPS1 (0.47) CTPS1MAPK1FASN
SCHEMBL24107098 0.72 CTPS1 (0.80) CTPS1
SCHEMBL30528877 0.72 CTPS1 (0.80) CTPS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20210387965-A1 Compounds STEP PHARMA S.A.S. (FR) 2021-12-16 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 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-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885MAPK1 2164/4885SYK 4324/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885MAPK1 2164/4885SYK 4324/4885
US-20210387965-A1 Compounds CYP1A1, UGT1A1, CYP1B1 CTPS1 2704/4885MAPK1 1847/4885SYK 4254/4885

“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.