SCHEMBL21392123

SCHEMBL21392123

CCC(NC(=O)OC(C)(C)C)c1cncc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
PTPRB P23467 2/20 0.38
SYK P43405 1/20 0.38
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.37
AAK1 Q2M2I8 1/20 0.37
STK17B O94768 1/20 0.37
STK17A Q9UEE5 1/20 0.37
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
MAPKAPK2 P49137 2/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.35
CTSA P10619 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
SCHEMBL30415301 1.00 TRPA1 (0.40) TRPA1PTPRBSYKCTSSCTSK
SCHEMBL21381413 0.81 CTSA (0.43) MAPK1ALDH1A1MAPTLMNAKMT2A
SCHEMBL28311959 0.79 TRPA1 (0.55) TRPA1MAPK1ALDH1A1AAK1MAPT
SCHEMBL21391999 0.78 CTPS1 (0.53) PTPRB
SCHEMBL30416278 0.78 CTPS1 (0.53) PTPRB
SCHEMBL1811481 0.76 LMNA (0.57) TRPA1STK17BSTK17AMAPKAPK2LMNA
SCHEMBL27287525 0.74 KMT2A (0.46) TRPA1MAPK1AAK1STK17BSTK17A
SCHEMBL21392096 0.74 LMNA (0.52) TRPA1SYKMAPK1ALDH1A1STK17B
SCHEMBL29168235 0.74 ALDH1A1 (0.40) PTPRBSYKCTSSCTSKMAPK1
SCHEMBL30133703 0.74 ALDH1A1 (0.40) PTPRBSYKCTSSCTSKMAPK1

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 TRPA1 780/4885PTPRB 4561/4885SYK 4324/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 TRPA1 780/4885PTPRB 4561/4885SYK 4324/4885

“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.