SCHEMBL21392073

SCHEMBL21392073

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 9/20 0.42
PTPN1 P18031 3/20 0.39
ALDH1A1 P00352 2/20 0.38
TAS2R14 Q9NYV8 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
CXCR3 P49682 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL30725701 1.00 APLNR (0.42) APLNRPTPN1ALDH1A1TAS2R14TDP1
SCHEMBL21392074 0.83 USP2 (0.35) APLNRALDH1A1TDP1USP2TSHR
SCHEMBL30416047 0.77 APLNR (0.36) APLNRTAS2R14CXCR3
SCHEMBL21392069 0.77 APLNR (0.36) APLNRTAS2R14CXCR3
SCHEMBL28478417 0.76 CASP6 (0.42) PTPN1ALDH1A1MEN1GAAKMT2A
SCHEMBL21384620 0.74 PTPN1 (0.39) APLNRPTPN1ALDH1A1TAS2R14USP2
SCHEMBL30725707 0.74 PTPN1 (0.39) APLNRPTPN1ALDH1A1TAS2R14USP2
SCHEMBL21392057 0.72 APLNR (0.38) APLNRTAS2R14CXCR3
SCHEMBL30416333 0.72 APLNR (0.38) APLNRTAS2R14CXCR3
SCHEMBL21392152 0.71 PTPN1 (0.36) APLNRPTPN1ALDH1A1TAS2R14MAPT

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 7 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
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 APLNR 3512/4885PTPN1 4585/4885ALDH1A1 166/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 APLNR 3512/4885PTPN1 4585/4885ALDH1A1 166/4885

“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.