SCHEMBL6132303

SCHEMBL6132303

COc1ccc(-c2nc(OCC(F)(F)F)nn2-c2ccc(OC)nc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.81
PTGS1 P23219 9/20 0.81
MALT1 Q9UDY8 3/20 0.44
OXTR P30559 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
AVPR2 P30518 1/20 0.37
AVPR1A P37288 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL6132346 0.94 PTGS2 (0.81) PTGS2PTGS1MALT1OXTRCYP1A2
SCHEMBL6682869 0.90 PTGS1 (0.65) PTGS2PTGS1MALT1OXTRAVPR2
SCHEMBL6132289 0.90 PTGS2 (1.00) PTGS2PTGS1MALT1L3MBTL1CYP1A2
SCHEMBL6681239 0.89 PTGS1 (0.64) PTGS2PTGS1MALT1OXTRAVPR2
SCHEMBL6684505 0.89 PTGS1 (0.64) PTGS2PTGS1MALT1OXTRAVPR2
SCHEMBL6691220 0.88 PTGS1 (0.63) PTGS2PTGS1MALT1OXTRL3MBTL1
SCHEMBL6132606 0.85 PTGS2 (0.57) PTGS2PTGS1OXTRL3MBTL1CYP1A2
SCHEMBL6681738 0.84 PTGS2 (0.58) PTGS2PTGS1MALT1
SCHEMBL6681832 0.84 PTGS1 (0.57) PTGS2PTGS1MALT1L3MBTL1
SCHEMBL6686713 0.81 PTGS2 (0.81) PTGS2PTGS1MALT1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US claimed
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
WO-2012170839-A2 TREATMENT OF NEUROINFLAMMATORY DISEASE WITH SELECTIVE COX1 INHIBITORS CARDEUS PHARMACEUTICALS, INC. (US) 2012-12-13 WO disclosed
US-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 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 (2 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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 PTGS2 2680/4885PTGS1 1504/4885MALT1 71/4885
US-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND CYP3A4, CYP3A43, CYP3A7 PTGS2 3116/4885PTGS1 2201/4885MALT1 840/4885

“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.