SCHEMBL21392175

SCHEMBL21392175

COC(=O)C1(c2cncc(NS(=O)(=O)C3CC3)n2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 17/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP17A1 P05093 1/20 0.34
▸ MAP4K1 Q92918 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
SCHEMBL30416303 1.00 CTPS1 (0.38) CTPS1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL22869169 0.79 CTPS1 (0.40) CTPS1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL22758463 0.78 CYP3A4 (0.37) CTPS1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL21392181 0.78 CTPS1 (0.48) CTPS1
SCHEMBL30725706 0.78 CTPS1 (0.40) CTPS1
SCHEMBL21392093 0.78 CTPS1 (0.40) CTPS1
SCHEMBL21392028 0.77 CYP2C19 (0.36) CYP3A4CYP2C9PKMCYP2C19
SCHEMBL30518355 0.74 CTPS1 (0.69) CTPS1
SCHEMBL21391998 0.73 CTPS1 (0.42) CTPS1CYP17A1
SCHEMBL30415285 0.73 CTPS1 (0.42) CTPS1CYP17A1

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
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-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 — — US disclosed
US-20210387965-A1 Compounds STEP PHARMA S.A.S. (FR) 2021-12-16 — — 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
WO-2019180244-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 (3 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 2586/4885CYP3A4 13/4885CYP2C9 15/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885CYP3A4 13/4885CYP2C9 15/4885
US-20210387965-A1 Compounds CYP1A1, UGT1A1, CYP1B1 CTPS1 2704/4885CYP3A4 19/4885CYP2C9 16/4885

“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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