SCHEMBL22869169

SCHEMBL22869169

COC(=O)C1(c2csc(NS(=O)(=O)C3CC3)n2)CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 17/20 0.40
▸ CTPS2 Q9NRF8 3/20 0.39
▸ PDE5A O76074 2/20 0.38
▸ PDE1A P54750 1/20 0.37
▸ PDE1B Q01064 1/20 0.37
▸ PDE1C Q14123 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL32663074 0.93 CTPS1 (0.43) CTPS1CTPS2PDE5A
SCHEMBL21076995 0.91 CTPS1 (0.41) CTPS1CTPS2
SCHEMBL22869141 0.87 PDE5A (0.46) CTPS1CTPS2PDE5APDE1APDE1B
SCHEMBL22869106 0.82 CTPS1 (0.44) CTPS1CTPS2CYP2C9CYP2C19
SCHEMBL22869083 0.80 CTPS1 (0.46) CTPS1CTPS2PDE5A
SCHEMBL21392175 0.79 CTPS1 (0.38) CTPS1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL30416303 0.79 CTPS1 (0.38) CTPS1CYP3A4CYP2C9PKMCYP2C19
SCHEMBL21044111 0.78 CTPS1 (0.44) CTPS1CTPS2PDE5A
SCHEMBL22869122 0.77 PDE5A (0.38) PDE5APDE1APDE1BPDE1CCYP3A4
SCHEMBL21392181 0.77 CTPS1 (0.48) 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 7 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-12503466-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2025-12-23 — — US disclosed
US-20240010645-A1 Aminothiazole Compounds as Inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2024-01-11 — — US 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-12503466-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CTPS1 1/4885CTPS2 2/4885PDE5A 3779/4885
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CTPS1 1/4885CTPS2 2/4885PDE5A 3779/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CTPS1 2385/4885CTPS2 2441/4885PDE5A 4230/4885
US-20240010645-A1 Aminothiazole Compounds as Inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 CTPS1 1/4885CTPS2 2/4885PDE5A 3779/4885

“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.

Send feedback