SCHEMBL24369606

SCHEMBL24369606

O=C(NC1(c2csc(NS(=O)(=O)C3CC3)n2)CC1)c1ccc2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ PDE5A O76074 1/20 0.42
▸ PDE1A P54750 1/20 0.42
▸ PDE1B Q01064 1/20 0.42
▸ PDE1C Q14123 1/20 0.42
▸ CTPS1 P17812 10/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38

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
SCHEMBL29488891 1.00 RAB9A (0.44) RAB9ANPC1KMT2ACASP3SENP8
SCHEMBL29488966 0.85 CTPS1 (0.43) CTPS1
SCHEMBL24369400 0.85 CTPS1 (0.43) CTPS1
SCHEMBL29488837 0.84 CTPS1 (0.44) RAB9ANPC1KMT2ACTPS1MEN1
SCHEMBL24369378 0.84 CTPS1 (0.44) RAB9ANPC1KMT2ACTPS1MEN1
SCHEMBL24369711 0.83 CTPS1 (0.42) CTPS1
SCHEMBL29488880 0.83 CTPS1 (0.42) CTPS1
SCHEMBL24369028 0.82 CTPS1 (0.45) CTPS1
SCHEMBL29488835 0.82 CTPS1 (0.45) CTPS1
SCHEMBL24369605 0.82 RAB9A (0.46) RAB9ANPC1KMT2ACASP3SENP8

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 RAB9A 3544/4885NPC1 80/4885KMT2A 3259/4885

“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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