SCHEMBL21392235

SCHEMBL21392235

CCC(C(=O)O)c1cccc(NS(=O)(=O)C2CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 19/20 0.58
SCN9A Q15858 1/20 0.41

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
SCHEMBL21392258 0.87 CTPS1 (0.57) CTPS1SCN9A
SCHEMBL21381503 0.83 CTPS1 (0.48) CTPS1
SCHEMBL22924884 0.80 CTPS1 (0.61) CTPS1
SCHEMBL6418756 0.77 KCNH2 (0.43) CTPS1
SCHEMBL21044216 0.76 CTPS1 (0.46) CTPS1
SCHEMBL31152528 0.75 CTPS1 (1.00) CTPS1
SCHEMBL21392234 0.73 CTPS1 (0.59) CTPS1SCN9A
SCHEMBL17868449 0.73 KDM4E (0.50) CTPS1SCN9A
SCHEMBL21392233 0.73 CTPS1 (0.64) CTPS1SCN9A
SCHEMBL30528826 0.73 CTPS1 (0.85) CTPS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US 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 2586/4885SCN9A 1275/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885SCN9A 1275/4885

“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.