SCHEMBL10038980

SCHEMBL10038980

CC(=O)C(CS)Cc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CPA3 P15088 1/20 0.72
▸ FOLH1 Q04609 1/20 0.72
▸ MME P08473 9/20 0.64
▸ ACE P12821 3/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ HPGD P15428 1/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ HSD17B10 Q99714 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ ECE1 P42892 1/20 0.63
▸ BLM P54132 1/20 0.63
▸ NPEPPS P55786 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ CYP1A2 P05177 1/20 0.59

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
SCHEMBL497369 0.88 CYP1A2 (0.68) CPA3FOLH1MMECYP1A2
SCHEMBL4724923 0.86 CYP1A2 (0.65) CPA3FOLH1MMECYP1A2
SCHEMBL29865739 0.86 CYP1A2 (0.65) CPA3FOLH1MMECYP1A2
SCHEMBL4451600 0.86 CYP1A2 (0.65) CPA3FOLH1MMECYP1A2
SCHEMBL2588080 0.86 CYP1A2 (0.65) CPA3FOLH1MMECYP1A2
SCHEMBL40705 0.86 CYP1A2 (0.65) CPA3FOLH1MMECYP1A2
SCHEMBL107422 0.86 CYP1A2 (0.65) CPA3FOLH1MMECYP1A2
SCHEMBL28912638 0.86 CYP1A2 (0.65) CPA3FOLH1MMECYP1A2
SCHEMBL1559014 0.84 FOLH1 (1.00) CPA3FOLH1MMECYP1A2
SCHEMBL1464853 0.84 FOLH1 (1.00) CPA3FOLH1MMECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101665-B2 Process for synthesis of tritiated and deuterated thiorphan and acetorphan ROCHE PALO ALTO LLC (US) 2012-01-24 — — US disclosed
US-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN ROCHE PALO ALTO LLC 2011-12-29 — — 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 (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-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN NAT1, ZRANB2, TXN CPA3 3093/4885FOLH1 3985/4885MME 17/4885

“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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