SCHEMBL21392311

SCHEMBL21392311

COCCC(C(=O)OC)(C(=O)OC(C)(C)C)c1ccnc(NS(C)(=O)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 12/20 0.47
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AR P10275 1/20 0.33
FASN P49327 1/20 0.33

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
SCHEMBL21373726 0.87 CTPS1 (0.45) CTPS1
SCHEMBL28477374 0.83 CASP6 (0.41) CTPS1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21373801 0.81 AAK1 (0.36) CTPS1
SCHEMBL21387592 0.79 CTPS1 (0.31) CTPS1
SCHEMBL21373740 0.77 CTPS1 (0.52) CTPS1MAPK1
SCHEMBL21392152 0.76 PTPN1 (0.36) ALDH1A1
SCHEMBL30415860 0.76 PTPN1 (0.36) ALDH1A1
SCHEMBL21373811 0.76 CTPS1 (0.48) CTPS1
SCHEMBL21392313 0.72 CTPS1 (0.44) CTPS1MAPK1FASN
SCHEMBL21373756 0.69 AAK1 (0.38) ALDH1A1

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
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-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 2586/4885MAPK1 2164/4885CYP1A2 3/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885MAPK1 2164/4885CYP1A2 3/4885

“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.