SCHEMBL7089474

SCHEMBL7089474

CSc1ccc(-c2cc(F)ccc2C(O)(C(=O)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.39
KCNN4 O15554 1/20 0.36
PTGS1 P23219 3/20 0.36
EGFR P00533 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
MAPT P10636 1/20 0.36
DRD1 P21728 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRM1 P35372 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PTGDR2 Q9Y5Y4 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
SCHEMBL7087777 0.84 NOX1 (0.36) MAPK1TDP1CYP2C9AKR1C3AKR1C2
SCHEMBL7084394 0.83 PTGS2 (0.48) PTGS1PTGS2
SCHEMBL7091315 0.75 CYP2C9 (0.35) PTGS1MAPTPTGS2TDP1CYP2C9
SCHEMBL7089413 0.75 DDR1 (0.35) KCNN4PTGDR2CYP2C9DDR1CES1
SCHEMBL7085175 0.73 DDR1 (0.34) KCNN4TDP1PTGDR2CYP2C9DDR1
SCHEMBL7085133 0.73 CES1 (0.36) CYP1A2MAPTMAPK1CYP2C9AKR1C3
SCHEMBL7090546 0.73 CES1 (0.36) MAPTMAPK1CYP2C9AKR1C3AKR1C2
SCHEMBL7090214 0.71 CES1 (0.34) PPARGCYP1A2MAPTPTGS2CYP2C9
SCHEMBL7089416 0.71 CYP2C9 (0.37) KCNN4MAPTPTGDR2CYP2C9CES1
SCHEMBL8800479 0.70 KCNN4 (0.51) KCNN4CYP2C9KIF11CES1ALDH1A1

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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation G.D. SEARLE & CO. 2003-03-13 US disclosed
EP-0772601-B1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-09-18 EP disclosed
US-6426360-B1 ANTIARTHRITIC AGENTS G D SEARLE & CO. 2002-07-30 US disclosed
WO-1996003387-A1 4,5-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 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-20030050330-A1 4,5-subtstituted imdazolyl compounds for the treatment of inflammation AHR, HACL2, IRAK2 PPARG 259/4885KCNN4 2514/4885PTGS1 114/4885

“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.