SCHEMBL21392070

SCHEMBL21392070

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.36
MMP13 P45452 5/20 0.36
MMP2 P08253 4/20 0.36
MMP8 P22894 4/20 0.36
APLNR P35414 5/20 0.35
BMP1 P13497 3/20 0.35
CXCR3 P49682 2/20 0.35
MMP1 P03956 1/20 0.35
ADAM17 P78536 1/20 0.35
TAS2R14 Q9NYV8 2/20 0.34
PTGES O14684 1/20 0.34
MAPT P10636 1/20 0.34
AVPR1B P47901 1/20 0.34
F2 P00734 1/20 0.33
PRSS1 P07477 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
SCHEMBL30415869 1.00 MMP9 (0.36) MMP9MMP13MMP2MMP8APLNR
SCHEMBL29228052 0.92 MMP9 (0.37) MMP9MMP13MMP2MMP8APLNR
SCHEMBL30415809 0.89 MMP9 (0.36) MMP9MMP13MMP2MMP8APLNR
SCHEMBL21392078 0.89 MMP9 (0.36) MMP9MMP13MMP2MMP8APLNR
SCHEMBL21392147 0.85 CXCR3 (0.35) CXCR3TAS2R14PTGES
SCHEMBL30416683 0.85 CXCR3 (0.35) CXCR3TAS2R14PTGES
SCHEMBL21392149 0.85 TRPM8 (0.38) MMP9MMP13BMP1CXCR3MMP1
SCHEMBL30416019 0.85 TRPM8 (0.38) MMP9MMP13BMP1CXCR3MMP1
Potassium Ion SCHEMBL25285699 0.80 TAS2R14 (0.36) CXCR3TAS2R14PTGESMAPT
SCHEMBL29047788 0.80 TRPM8 (0.37) TAS2R14PTGES

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 MMP9 849/4885MMP13 2184/4885MMP2 2301/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 MMP9 849/4885MMP13 2184/4885MMP2 2301/4885

“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.