SCHEMBL30339221

SCHEMBL30339221

O=S(=O)(Nc1ccncn1)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ CKS1B P61024 3/20 0.43
▸ SKP2 Q13309 3/20 0.43
▸ CYP17A1 P05093 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ MAP4K1 Q92918 1/20 0.40
▸ SCN9A Q15858 7/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ CTPS1 P17812 1/20 0.36
▸ SCN2B O60939 1/20 0.36
▸ SCN1B Q07699 1/20 0.36

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
SCHEMBL31678766 1.00 PTGS1 (0.44) PTGS1PTGS2CKS1BSKP2CYP17A1
SCHEMBL31678837 0.83 PTGS1 (0.43) PTGS1PTGS2CKS1BSKP2CYP17A1
SCHEMBL30339075 0.77 TSHR (0.53) PTGS1PTGS2CKS1BSKP2TDP1
SCHEMBL14830949 0.77 TSHR (0.53) PTGS1PTGS2CKS1BSKP2TDP1
SCHEMBL23308873 0.74 SCN1A (0.38) SCN9ASCN1ASCN5ASCN8A
SCHEMBL20333513 0.74 PIK3CD (0.41) PTGS1PTGS2CYP17A1SCN9ASCN1A
SCHEMBL31678785 0.74 PTGS1 (0.53) PTGS1PTGS2CKS1BSKP2CYP17A1
SCHEMBL14080696 0.74 HSP90AA1 (0.40) SCN9ASCN1ASCN5ASCN8A
SCHEMBL30339084 0.74 PTGS1 (0.46) PTGS1PTGS2CKS1BSKP2CYP17A1
SCHEMBL30338582 0.74 PTGS1 (0.46) PTGS1PTGS2CKS1BSKP2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases STEP PHARMA S.A.S. (FR) 2023-03-23 — — US 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 (1 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-20230086703-A1 N-(4-(5-chloropyridin-3-yl)phenyl)-2-(2-(cyclopropanesulfonamido)pyrimidin-4-yl) butanamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases CTPS1, CTPS2, CERS2 PTGS1 551/4885PTGS2 897/4885CKS1B 27/4885

“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.

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