SCHEMBL21392050

SCHEMBL21392050

CCOC(=O)C(C(=O)OC(C)(C)C)c1nccc(N(Cc2ccc(OC)cc2)S(=O)(=O)C2CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.35
APLNR P35414 5/20 0.34
BRD4 O60885 1/20 0.33
BMP1 P13497 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HCRTR2 O43614 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SLC2A1 P11166 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL21392162 0.85 APLNR (0.36) APLNRBRD4KMT2AMEN1LMNA
SCHEMBL21392051 0.83 CACNA1B (0.36) CACNA1BAPLNRBRD4LMNAALDH1A1
SCHEMBL21392157 0.81 KMT2A (0.32) CACNA1BAPLNRBRD4BMP1KMT2A
SCHEMBL24369151 0.75 CACNA1B (0.40) CACNA1BBRD4BMP1KMT2ALMNA
SCHEMBL21385329 0.74 APLNR (0.39) APLNRKMT2AMEN1LMNAALDH1A1
SCHEMBL25098942 0.72 BRD4 (0.36) APLNRBRD4KMT2AMEN1LMNA
SCHEMBL29488979 0.71 CXCR3 (0.38) APLNRHTTSMN1; SMN2
SCHEMBL21392057 0.70 APLNR (0.38) APLNR
SCHEMBL21392069 0.70 APLNR (0.36) APLNR
SCHEMBL30620603 0.70 POLB (0.40) KMT2AMEN1LMNATP53ALDH1A1

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 CACNA1B 1904/4885APLNR 3512/4885BRD4 1627/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CACNA1B 1904/4885APLNR 3512/4885BRD4 1627/4885

“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.