SCHEMBL21044111

SCHEMBL21044111

O=C(O)C1(c2csc(NS(=O)(=O)C3CC3)n2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 17/20 0.44
▸ PDE5A O76074 2/20 0.38
▸ CTPS2 Q9NRF8 3/20 0.38
▸ HDAC1 Q13547 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
SCHEMBL22869083 0.95 CTPS1 (0.46) CTPS1PDE5ACTPS2
SCHEMBL22869141 0.90 PDE5A (0.46) CTPS1PDE5ACTPS2
SCHEMBL21076995 0.87 CTPS1 (0.41) CTPS1CTPS2
SCHEMBL22490776 0.80 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL22869106 0.78 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL22869169 0.78 CTPS1 (0.40) CTPS1PDE5ACTPS2
SCHEMBL22490749 0.78 CTPS1 (0.42) CTPS1CTPS2
SCHEMBL22490773 0.74 CTPS1 (0.50) CTPS1CTPS2HDAC1
SCHEMBL11922827 0.72 AKR1C1 (0.41) PDE5AHDAC1
SCHEMBL21044261 0.72 CTPS1 (0.48) CTPS1CTPS2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717459-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 — — EP disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 — — US disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 — — US disclosed
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 — — US disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — EP disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — 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 (2 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CTPS1 1/4885PDE5A 3779/4885CTPS2 2/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CTPS1 2385/4885PDE5A 4230/4885CTPS2 2441/4885

“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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