SCHEMBL21392069

SCHEMBL21392069

CCC(C(=O)OC)c1ccnc(N(Cc2ccc(OC)cc2)S(=O)(=O)C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
APLNR P35414 7/20 0.36
CXCR3 P49682 2/20 0.35
CTPS1 P17812 6/20 0.35
TAS2R14 Q9NYV8 4/20 0.35
PTGES O14684 1/20 0.35

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
SCHEMBL30416047 1.00 APLNR (0.36) APLNRCXCR3CTPS1TAS2R14PTGES
SCHEMBL21392057 0.87 APLNR (0.38) APLNRCXCR3TAS2R14PTGES
SCHEMBL30416333 0.87 APLNR (0.38) APLNRCXCR3TAS2R14PTGES
Potassium Ion SCHEMBL25285698 0.85 TAS2R14 (0.36) APLNRCXCR3TAS2R14PTGES
SCHEMBL22924965 0.82 APLNR (0.38) APLNRCXCR3TAS2R14PTGES
SCHEMBL22924968 0.81 APLNR (0.35) APLNRTAS2R14PTGES
Potassium SCHEMBL30882859 0.81 APLNR (0.38) APLNRCXCR3TAS2R14PTGES
SCHEMBL29228057 0.81 APLNR (0.38) APLNRCXCR3TAS2R14PTGES
SCHEMBL21392246 0.81 APLNR (0.35) APLNRCXCR3
Potassium Ion SCHEMBL30725705 0.81 APLNR (0.37) APLNRCXCR3TAS2R14PTGES

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 10 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
CN-112839938-B Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2023-07-07 CN 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-20210387965-A1 Compounds STEP PHARMA S.A.S. (FR) 2021-12-16 US disclosed
CN-112839938-A Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2021-05-25 CN 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 (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 APLNR 3512/4885CXCR3 1155/4885CTPS1 2586/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 APLNR 3512/4885CXCR3 1155/4885CTPS1 2586/4885
US-20210387965-A1 Compounds CYP1A1, UGT1A1, CYP1B1 APLNR 3505/4885CXCR3 1113/4885CTPS1 2704/4885

“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.