SCHEMBL22490749

SCHEMBL22490749

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

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 18/20 0.42
▸ CTPS2 Q9NRF8 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ NPY5R Q15761 1/20 0.32

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
Hydrochloric Acid SCHEMBL29086281 0.99 CTPS1 (0.41) CTPS1CTPS2ALDH1A1NPY5R
SCHEMBL22869083 0.80 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21044111 0.78 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL22490776 0.78 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL22869141 0.76 PDE5A (0.46) CTPS1CTPS2ALDH1A1
SCHEMBL21076995 0.75 CTPS1 (0.41) CTPS1CTPS2
SCHEMBL24088748 0.74 CTPS1 (0.55) CTPS1CTPS2NPY5R
SCHEMBL22490834 0.72 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL22490812 0.72 CTPS1 (0.44) CTPS1CTPS2NPY5R
SCHEMBL24088721 0.71 CTPS1 (0.42) CTPS1CTPS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 — — US disclosed
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 — — US disclosed
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 — — US 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
US-20210380575-A1 COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2021-12-09 — — US disclosed
US-20210380575-A1 COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2021-12-09 — — US disclosed
EP-3717465-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2020-10-07 — — EP 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-20230183229-A1 Compounds UGT1A1, CYP1A1, CYP1B1 CTPS1 2556/4885CTPS2 2833/4885ALDH1A1 158/4885
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 CTPS1 1/4885CTPS2 2/4885ALDH1A1 1472/4885
US-20210380575-A1 COMPOUNDS UGT1A1, CYP1A1, CYP1B1 CTPS1 2556/4885CTPS2 2833/4885ALDH1A1 158/4885

“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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