SCHEMBL6132484

SCHEMBL6132484

COc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.63
PTGS1 P23219 9/20 0.63
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CUL4A Q13619 1/20 0.46
TP53 P04637 1/20 0.44

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
SCHEMBL6132192 1.00 PTGS2 (0.63) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL6132473 0.96 PTGS2 (0.67) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL6681240 0.89 PTGS2 (0.60) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL5865649 0.89 PTGS2 (0.60) PTGS2PTGS1L3MBTL1HPGD
SCHEMBL6132399 0.87 PTGS2 (0.58) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL6885231 0.87 PTGS2 (0.58) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL5204715 0.87 PTGS2 (0.58) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL27905338 0.86 PTGS2 (0.60) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL6132400 0.86 PTGS2 (0.57) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4
SCHEMBL28806023 0.86 PTGS2 (0.60) PTGS2PTGS1L3MBTL1CYP1A2CYP3A4

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-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US claimed
US-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 PTGS2 2680/4885PTGS1 1504/4885L3MBTL1 836/4885

“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.