SCHEMBL697282

SCHEMBL697282

CC(c1cccc(C(F)(F)F)c1Cl)c1nccn1COC(=O)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.40
IL1B P01584 1/20 0.35
CTSS P25774 3/20 0.35
CTSK P43235 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
PPARG P37231 2/20 0.33
SSTR1 P30872 1/20 0.33
SSTR4 P31391 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
SCHEMBL702874 0.91 KMT2A (0.36) P2RX7ALDH1A1MAPTKMT2AHSP90AA1
SCHEMBL697152 0.82 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AKCNH2
SCHEMBL698624 0.82 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AKCNH2
SCHEMBL3528743 0.82 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AKCNH2
SCHEMBL697329 0.80 ALDH1A1 (0.45) ALDH1A1MAPTKMT2A
SCHEMBL1573126 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL697034 0.79 ALDH1A1 (0.35) ALDH1A1MAPTKMT2AKCNH2
SCHEMBL697750 0.78 POLB (0.36) ALDH1A1MAPTKMT2A
SCHEMBL697333 0.78 KMT2A (0.36) ALDH1A1MAPTKMT2A
SCHEMBL698829 0.77 NPC1 (0.39) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1981853-B1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LTD (GB) 2011-04-13 EP disclosed
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 P2RX7 671/4885IL1B 1846/4885CTSS 452/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885IL1B 1846/4885CTSS 452/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885IL1B 1846/4885CTSS 452/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 P2RX7 671/4885IL1B 1846/4885CTSS 452/4885

“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.