SCHEMBL21391998

SCHEMBL21391998

COC(=O)c1cncc(NS(=O)(=O)C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 16/20 0.42
CYP17A1 P05093 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
JAK1 P23458 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
SCHEMBL30415285 1.00 CTPS1 (0.42) CTPS1CYP17A1MRGPRX4JAK1
SCHEMBL30416063 0.76 CTPS1 (0.51) CTPS1
SCHEMBL21392174 0.76 CTPS1 (0.51) CTPS1
SCHEMBL21392000 0.76 CTPS1 (0.43) CTPS1CYP17A1
SCHEMBL21381436 0.76 CTPS1 (0.42) CTPS1CYP17A1
SCHEMBL30415946 0.76 CTPS1 (0.43) CTPS1CYP17A1
SCHEMBL30416532 0.75 CTPS1 (0.49) CTPS1
SCHEMBL21391996 0.75 CTPS1 (0.49) CTPS1
SCHEMBL21392173 0.74 CTPS1 (0.47) CTPS1
SCHEMBL30415967 0.74 CTPS1 (0.47) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111868051-B Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2024-04-09 CN disclosed
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-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
CN-111868051-A Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2020-10-30 CN disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO 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 (2 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 2586/4885CYP17A1 24/4885MRGPRX4 578/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885CYP17A1 24/4885MRGPRX4 578/4885

“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.