SCHEMBL6101006

SCHEMBL6101006

[CH2]CNS(=O)(=O)c1sc(NC(C)=O)nc1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.50
RORC P51449 1/20 0.50
RORB Q92753 1/20 0.50
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
PIK3CG P48736 13/20 0.44
PIK3CD O00329 10/20 0.44
PIK3CA P42336 8/20 0.44
PIK3CB P42338 7/20 0.44
PIK3C3 Q8NEB9 2/20 0.42
PIK3C2A O00443 1/20 0.42
PIK3C2B O00750 1/20 0.42
PI4KA P42356 1/20 0.42
PRKDC P78527 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12201045 0.87 RORA (0.51) RORARORCRORBALDH1A1HPGD
SCHEMBL1939226 0.84 PIK3CG (0.56) RORARORCRORBALDH1A1HPGD
SCHEMBL12461333 0.84 RORA (0.49) RORARORCRORBALDH1A1HPGD
SCHEMBL12229089 0.83 RORA (0.51) RORARORCRORBALDH1A1HPGD
SCHEMBL12203598 0.83 RORA (0.51) RORARORCRORBALDH1A1HPGD
SCHEMBL12197706 0.82 RORA (0.54) RORARORCRORBALDH1A1HPGD
SCHEMBL1939916 0.81 RORA (0.49) RORARORCRORBALDH1A1HPGD
SCHEMBL12203600 0.81 RORA (0.49) RORARORCRORBALDH1A1HPGD
SCHEMBL10133742 0.81 RORA (0.51) RORARORCRORBALDH1A1HPGD
SCHEMBL1940303 0.81 RORA (0.48) RORARORCRORBALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
CN-1703395-A Aryl and heteroaryl compounds and methods of modulating blood coagulation TRANSTECH PHARMA INC (US) 2005-11-30 CN claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed

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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 RORA 2568/4885RORC 3118/4885RORB 2558/4885

“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.