SCHEMBL2991093

SCHEMBL2991093

Cc1cc(I)c(NC(=O)O)cc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.40
CFTR P13569 1/20 0.38
HTT P42858 2/20 0.37
AR P10275 2/20 0.36
GAA P10253 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 2/20 0.35
SORT1 Q99523 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 3/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL26109347 0.89 CA1 (0.41) TAS2R14CFTRHTTARGAA
SCHEMBL29177385 0.81 TAS2R14 (0.40) TAS2R14HTTARSMN1; SMN2TP53
SCHEMBL12201211 0.81 KDM4E (0.43) CFTRHDAC1RAB9ASMN1; SMN2TP53
SCHEMBL5563935 0.80 TAS2R14 (0.40) TAS2R14CFTRHTTARSMN1; SMN2
SCHEMBL17336740 0.77 CFTR (0.41) TAS2R14CFTRHTTARSMN1; SMN2
SCHEMBL27615854 0.75 MAPT (0.46) HTTARRAB9ASMN1; SMN2TP53
SCHEMBL18298839 0.72 ALDH1A1 (0.48) HTTGAASMN1; SMN2MAPTCYP1A2
SCHEMBL17336846 0.72 MAPT (0.46) HTTARRAB9ASMN1; SMN2TP53
SCHEMBL2211826 0.71 KMT2A (0.40) HTTHDAC1HDAC8HDAC6RAB9A
SCHEMBL31404981 0.71 KDM4E (0.34) CFTRSMN1; SMN2MAPTCYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479175-A1 Compounds and methods for treating dyslipidemia Eli Lilly and Company (US) 2012-07-25 EP disclosed
US-7786108-B2 Compounds and method for treating dyslipidemia ELI LILLY AND COMPANY (US) 2010-08-31 US disclosed
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia CHEN XINCHAO 2010-08-12 US disclosed
US-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis ELI LILLY AND COMPANY 2007-10-18 US disclosed
EP-1761522-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2007-03-14 EP disclosed
WO-2006002342-A1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA ELI LILLY AND COMPANY (US) 2006-01-05 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 (2 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-20070244095-A1 S)-(3,5-Bistrifluoromethylbenzyl)-(1-cyclopentylmethyl-7-methyl-8-trifluoromethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-5-yl)-(2-methyl-2H-tetrazol-5-yl)amine, for treating and/or preventing diseases related to abnormal cholesterol ester transfer protein activity such as atherosclerosis CETP, APOB, MTTP TAS2R14 3760/4885CFTR 716/4885HTT 3305/4885
US-20100204207-A1 Compounds and Methods for Treating Dyslipidemia APOB, LIPC, PCSK9 TAS2R14 3509/4885CFTR 1010/4885HTT 2940/4885

“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.