SCHEMBL3531096

SCHEMBL3531096

Cc1cccc([C@H](C)c2nccn2C(=O)OCCc2ccc3ccccc3c2)c1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 1/20 0.35
GSK3A P49840 2/20 0.35
MAPK10 P53779 2/20 0.35
RIOK2 Q9BVS4 2/20 0.35
MAPK8 P45983 1/20 0.35
HIPK1 Q86Z02 1/20 0.35
SNRK Q9NRH2 1/20 0.35
CYP2D6 P10635 1/20 0.35
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL697622 0.91 FFAR1 (0.37) CES2GSK3AMAPK10RIOK2MAPK8
SCHEMBL4877983 0.91 FFAR1 (0.37) CES2GSK3AMAPK10RIOK2MAPK8
SCHEMBL3529304 0.88 GRIN2B (0.37) PPARGPPARDPPARA
SCHEMBL3532613 0.88 ALOX5 (0.36)
SCHEMBL698934 0.88 CHRM2 (0.33) PPARGPPARDPPARA
SCHEMBL697839 0.86 FPR2 (0.35) PPARGPPARDPPARA
SCHEMBL3525398 0.84 CHRM5 (0.36)
SCHEMBL723425 0.84 NPC1 (0.33) CYP2C19PPARGPPARDPPARA
SCHEMBL723424 0.84 NPC1 (0.33) CYP2C19PPARGPPARDPPARA
SCHEMBL703068 0.83 ALDH1A1 (0.33) CYP2C9CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 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 (4 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CES2 722/4885CYP2C9 8/4885CYP2C19 16/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CES2 722/4885CYP2C9 8/4885CYP2C19 16/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CES2 722/4885CYP2C9 8/4885CYP2C19 16/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 CES2 722/4885CYP2C9 8/4885CYP2C19 16/4885

“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.