SCHEMBL24369711

SCHEMBL24369711

O=C(NC1(c2csc(NS(=O)(=O)C3CC3)n2)CC1)c1cnc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 11/20 0.42
▸ BCAT1 P54687 1/20 0.41
▸ HPGDS O60760 1/20 0.41
▸ CXCR4 P61073 1/20 0.38
▸ MGAM O43451 1/20 0.37
▸ CTPS2 Q9NRF8 1/20 0.37
▸ DPP4 P27487 1/20 0.37
▸ DPP7 Q9UHL4 1/20 0.37
▸ PPARD Q03181 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
SCHEMBL29488880 1.00 CTPS1 (0.42) CTPS1BCAT1HPGDSCXCR4MGAM
SCHEMBL24369162 0.88 CTPS1 (0.45) CTPS1BCAT1CTPS2
SCHEMBL29488826 0.88 CTPS1 (0.45) CTPS1BCAT1CTPS2
SCHEMBL29488837 0.87 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL24369378 0.87 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL24370239 0.83 HPGDS (0.42) BCAT1HPGDSCXCR4MGAMDPP4
SCHEMBL29488966 0.83 CTPS1 (0.43) CTPS1CTPS2
SCHEMBL24369400 0.83 CTPS1 (0.43) CTPS1CTPS2
SCHEMBL24369606 0.83 RAB9A (0.44) CTPS1
SCHEMBL29488891 0.83 RAB9A (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116601131-A CTPS1 inhibitor and application thereof 林伯士克洛索有限公司 2023-08-15 — — CN disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 — — US disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 — — 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 (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-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 CTPS1 1/4885BCAT1 1129/4885HPGDS 257/4885

“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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