SCHEMBL14857230

SCHEMBL14857230

CCOc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.53
PTGS1 P23219 5/20 0.53
CACNA2D1 P54289 6/20 0.47
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPBWR1 P48145 2/20 0.42
MCHR1 Q99705 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CACNA2D2 Q9NY47 1/20 0.40

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
SCHEMBL5207906 0.88 PTGS2 (0.49) PTGS2PTGS1CACNA2D1MAPTHPGD
SCHEMBL6885807 0.86 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5203782 0.86 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6132192 0.85 PTGS2 (0.63) PTGS2PTGS1TSHRNPSR1HPGD
SCHEMBL6132484 0.85 PTGS2 (0.63) PTGS2PTGS1TSHRNPSR1HPGD
SCHEMBL5202692 0.85 PTGS2 (0.67) PTGS2PTGS1TSHR
SCHEMBL1115324 0.81 PTGS2 (0.43) PTGS2PTGS1CACNA2D1TSHRHPGD
SCHEMBL6132473 0.81 PTGS2 (0.67) PTGS2PTGS1MAPTTSHRNPSR1
SCHEMBL1115042 0.79 PTGS2 (0.47) PTGS2PTGS1CACNA2D1MAPTSMN1; SMN2
SCHEMBL5865601 0.77 PTGS2 (0.44) PTGS2PTGS1TSHRSMN1; SMN2

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-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND ASTELLAS PHARMA, INC. 2013-05-30 US disclosed
EP-2581084-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND Astellas Pharma Inc. (JP) 2013-04-17 EP 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-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND CYP3A4, CYP3A43, CYP3A7 PTGS2 3116/4885PTGS1 2201/4885CACNA2D1 3229/4885

“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.