SCHEMBL22869122

SCHEMBL22869122

COC(=O)C1(c2csc(Br)n2)CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 2/20 0.38
▸ PDE1A P54750 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PDE1C Q14123 1/20 0.38
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC10 Q969S8 1/20 0.33
▸ HDAC11 Q96DB2 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
SCHEMBL21044072 0.87 HDAC1 (0.39) MEN1MAPK1KMT2AHDAC3HDAC4
SCHEMBL22869169 0.77 CTPS1 (0.40) PDE5APDE1APDE1BPDE1CCYP3A4
SCHEMBL5169008 0.74 MEN1 (0.51) PKMMAPTMEN1MAPK1KMT2A
SCHEMBL9966412 0.74 TSHR (0.42) CYP3A4CYP2C9PKMCYP2C19KDM4E
SCHEMBL29551162 0.74 TSHR (0.42) CYP3A4CYP2C9PKMCYP2C19KDM4E
SCHEMBL20640304 0.74 MEN1 (0.50) KDM4EMAPTMEN1MAPK1KMT2A
SCHEMBL27635825 0.73 MEN1 (0.33) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL14215419 0.72 HDAC1 (0.36) PKMMEN1MAPK1KMT2AHDAC1
SCHEMBL25374633 0.71 CYP2C19 (0.39) CYP3A4CYP2C9PKMCYP2C19KDM4E
SCHEMBL21392028 0.71 CYP2C19 (0.36) CYP3A4CYP2C9PKMCYP2C19KDM4E

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 PDE5A 3779/4885PDE1A 4306/4885PDE1B 4004/4885
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 PDE5A 3779/4885PDE1A 4306/4885PDE1B 4004/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 PDE5A 4230/4885PDE1A 4875/4885PDE1B 4835/4885
US-20240010645-A1 Aminothiazole Compounds as Inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 PDE5A 3779/4885PDE1A 4306/4885PDE1B 4004/4885

“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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