SCHEMBL5148978

SCHEMBL5148978

COc1ccc(-n2nc(C(F)(F)F)c(C)c2-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
PTGS1 P23219 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL5147825 0.84 PTGS2 (0.48) PTGS2PTGS1SMN1; SMN2MAPTHTT
SCHEMBL5148689 0.83 PTGS2 (0.51) PTGS2PTGS1SMN1; SMN2MAPTMEN1
SCHEMBL5148799 0.83 PTGS2 (0.49) PTGS2PTGS1SMN1; SMN2MAPTHTT
Hydrochloric Acid SCHEMBL5417976 0.82 PTGS2 (0.48) PTGS2PTGS1SMN1; SMN2MAPTHTT
SCHEMBL6683341 0.81 PTGS1 (0.58) PTGS2PTGS1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5149166 0.80 PTGS2 (0.45) PTGS2PTGS1MAPTKMT2ANPC1
SCHEMBL5148681 0.78 PTGS2 (0.43) PTGS2PTGS1SMN1; SMN2L3MBTL1LMNA
SCHEMBL5150789 0.77 PTGS2 (0.44) PTGS2PTGS1SMN1; SMN2LMNAMAPT
SCHEMBL5148863 0.77 PTGS2 (0.48) PTGS2PTGS1F10ALDH1A1
SCHEMBL5431907 0.77 ALDH1A1 (0.49) PTGS2SMN1; SMN2L3MBTL1LMNAMAPT

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
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 PTGS2 1780/4885PTGS1 1105/4885SMN1; SMN2 4406/4885

“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.