SCHEMBL3096838

SCHEMBL3096838

CS(=O)(=O)c1nccc(-c2c(-c3ccc(F)cc3)nn3c2CCCC3)n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 9/20 0.48
TGFBR1 P36897 9/20 0.47
CSNK1D P48730 2/20 0.43
PTGS2 P35354 3/20 0.40
MAPK14 Q16539 2/20 0.39
ACVR1 Q04771 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL3100630 0.85 PTGS2 (0.39) THRBCSNK1DPTGS2MAPK14
SCHEMBL3100615 0.84 CSNK1D (0.44) THRBTGFBR1CSNK1DPTGS2MAPK14
SCHEMBL10290371 0.83 THRB (0.52) THRBTGFBR1CSNK1DMAPK14ACVR1
SCHEMBL3110918 0.83 THRB (0.54) THRBTGFBR1CSNK1DMAPK14ACVR1
SCHEMBL3104990 0.81 THRB (0.51) THRBTGFBR1CSNK1DMAPK14
SCHEMBL10290368 0.81 CSNK1D (0.53) THRBTGFBR1CSNK1DMAPK14ACVR1
SCHEMBL10290857 0.80 THRB (0.56) THRBTGFBR1CSNK1DMAPK14
SCHEMBL3094572 0.80 MAPK14 (0.52) THRBTGFBR1CSNK1DMAPK14ACVR1
SCHEMBL3102458 0.79 CSNK1D (0.49) THRBTGFBR1CSNK1DMAPK14ACVR1
SCHEMBL10290363 0.79 CSNK1D (0.51) THRBTGFBR1CSNK1DMAPK14ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP claimed
EP-2217600-B1 FUNGICIDAL BICYCLIC PYRAZOLES DU PONT (US) 2012-12-05 EP disclosed
US-8288375-B2 Fungicidal bicyclic pyrazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-10-16 US disclosed
US-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-28 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-20100273775-A1 FUNGICIDAL BICYCLIC PYRAZOLES CYP1B1, CBR1, CYP1A1 THRB 4120/4885TGFBR1 1459/4885CSNK1D 1670/4885

“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.