SCHEMBL697017

SCHEMBL697017

[CH2]OC(=O)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.56
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
TRPV1 Q8NER1 1/20 0.41
EPHX2 P34913 1/20 0.41
MAOB P27338 2/20 0.41
SRD5A2 P31213 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40

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
SCHEMBL1720744 0.88 KIF11 (0.63) KIF11PRSS1ACRCES2CES1
SCHEMBL10708455 0.81 KIF11 (0.56) KIF11PRSS1ACRCES2CES1
SCHEMBL697018 0.81 KIF11 (0.56) KIF11PRSS1ACRCES2CES1
SCHEMBL26622218 0.81 EPHX2 (0.50) TRPV1EPHX2
SCHEMBL10706859 0.79 KIF11 (0.54) KIF11PRSS1ACRCES2CES1
SCHEMBL10706875 0.79 KIF11 (0.54) KIF11PRSS1ACRCES2CES1
SCHEMBL12704880 0.78 KIF11 (0.61) KIF11PRSS1ACRCES2CES1
SCHEMBL15453601 0.78 KIF11 (0.61) KIF11PRSS1ACRCES2CES1
SCHEMBL12085342 0.77 KIF11 (0.56) KIF11PRSS1ACRCES2CES1
SCHEMBL10706993 0.77 KIF11 (0.51) KIF11PRSS1ACRCES2CES1

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
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 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 (5 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 KIF11 2852/4885PRSS1 2977/4885ACR 1135/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KIF11 2852/4885PRSS1 2977/4885ACR 1135/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KIF11 2852/4885PRSS1 2977/4885ACR 1135/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 KIF11 2852/4885PRSS1 2977/4885ACR 1135/4885
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 KIF11 3988/4885PRSS1 3288/4885ACR 4372/4885

“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.