SCHEMBL397390

SCHEMBL397390

O=C(O)C(CS)Cc1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.68
CPA3 P15088 1/20 0.67

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
SCHEMBL1814454 0.84 CYP1A2 (0.50) FOLH1CPA3
SCHEMBL1818938 0.84 CYP1A2 (0.50) FOLH1CPA3
SCHEMBL3471743 0.81 HCAR2 (0.47)
SCHEMBL1464853 0.81 FOLH1 (1.00) FOLH1CPA3
SCHEMBL1559014 0.81 FOLH1 (1.00) FOLH1CPA3
SCHEMBL6171750 0.80 TAAR1 (0.47) FOLH1
SCHEMBL28939561 0.80 MME (0.49) FOLH1
SCHEMBL27785183 0.80 HCAR2 (0.46)
SCHEMBL28696232 0.79 FOLH1 (0.45) FOLH1CPA3
SCHEMBL2030081 0.78 KDM6B (0.54)

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-8101665-B2 Process for synthesis of tritiated and deuterated thiorphan and acetorphan ROCHE PALO ALTO LLC (US) 2012-01-24 US disclosed
US-8101665-B2 Process for synthesis of tritiated and deuterated thiorphan and acetorphan ROCHE PALO ALTO LLC (US) 2012-01-24 US disclosed
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
US-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN ROCHE PALO ALTO LLC 2011-12-29 US disclosed
US-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN ROCHE PALO ALTO LLC 2011-12-29 US disclosed
WO-2009077386-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
WO-2009077386-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO 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 FOLH1 3985/4885CPA3 3093/4885

“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.