SCHEMBL3826501

SCHEMBL3826501

CC(C)(C)c1c(F)cc(OCC(=O)O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALOX15 P16050 1/20 0.44
CD69 Q07108 2/20 0.44
HPGD P15428 1/20 0.44
PTPRB P23467 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ELANE P08246 1/20 0.44
LMNA P02545 1/20 0.44
FFAR1 O14842 1/20 0.43
CYP2C19 P33261 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MCL1 Q07820 1/20 0.41
TSHR P16473 1/20 0.41
PTPN7 P35236 1/20 0.41
PKM P14618 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL3825842 0.85 SMN1; SMN2 (0.45) SMN1; SMN2ALOX15CD69HPGDPTPRB
SCHEMBL26730009 0.80 HPGD (0.51) SMN1; SMN2ALOX15HPGDPTPRBHSD17B10
SCHEMBL19555342 0.80 ALOX15 (0.52) SMN1; SMN2ALOX15CD69HPGDPTPRB
SCHEMBL3923991 0.79 SMN1; SMN2 (0.57) SMN1; SMN2ALOX15HSD17B10LMNAFFAR1
SCHEMBL17896563 0.77 SMN1; SMN2 (0.58) SMN1; SMN2ALOX15CD69HPGDPTPRB
SCHEMBL22601791 0.77 MCL1 (0.49) ALOX15HPGDPTPRBHSD17B10LMNA
SCHEMBL9503312 0.77 SMN1; SMN2 (0.68) SMN1; SMN2ALOX15CD69HPGDPTPRB
SCHEMBL21718391 0.76 NQO1 (0.41) LMNATSHR
SCHEMBL17896565 0.76 SMN1; SMN2 (0.57) SMN1; SMN2ALOX15HSD17B10LMNAFFAR1
SCHEMBL28645298 0.74 ALOX15 (0.65) SMN1; SMN2ALOX15CD69HPGDPTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885797-A1 AQUEOUS DISPERSIONS OF WATER-SOLUBLE AND/OR WATER-SWELLABLE ANIONIC POLYMERS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2008-02-13 EP claimed
WO-2006122947-A1 AQUEOUS DISPERSIONS OF WATER-SOLUBLE AND/OR WATER-SWELLABLE ANIONIC POLYMERS, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-11-23 WO claimed
EP-1858865-B1 SUBSTITUTED N-SULFONYLAMINOPHENYLETHYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER (US) 2009-09-16 EP disclosed
US-7566739-B2 Substituted N-sulfonylaminophenylethyl-2-phenoxyacetamide compounds as VR1 receptor antagonists PFIZER INC. (US) 2009-07-28 US disclosed
US-7514457-B2 Substituted aryloxymethyl bicyclicmethyl acetamide compounds PFIZER INC. (US) 2009-04-07 US disclosed
EP-1893583-A1 SUBSTITUTED ARYLOXY-N-BICYCLOMETHYL ACETAMIDE COMPOUNDS AS VR1 ANTAGONISTS Pfizer, Inc. (US) 2008-03-05 EP disclosed
EP-1858865-A1 SUBSTITUTED N-SULFONYLAMINOPHENYLETHYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER INC. (US) 2007-11-28 EP disclosed
WO-2006129164-A1 SUBSTITUTED ARYLOXY-N-BICYCLOMETHYL ACETAMIDE COMPOUNDS AS VR1 ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-07 WO disclosed
US-20060270682-A1 Substituted Aryloxymethyl Bicyclicmethyl Acetamide Compounds PFIZER, INC. 2006-11-30 US disclosed
WO-2006095263-A1 SUBSTITUTED N-SULFONYLAMINOPHENYLETHYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2006-09-14 WO disclosed
US-20060205980-A1 Substituted N-sulfonylaminophenylethyl-2-phenoxyacetamide compounds as VR1 receptor antagonists PFIZER, INC. 2006-09-14 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 (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-20060205980-A1 Substituted N-sulfonylaminophenylethyl-2-phenoxyacetamide compounds as VR1 receptor antagonists CNR1, HVCN1, AVPR1A SMN1; SMN2 3396/4885ALOX15 2037/4885CD69 1819/4885
US-20060270682-A1 Substituted Aryloxymethyl Bicyclicmethyl Acetamide Compounds NR0B1, NR0B2, NR2C2 SMN1; SMN2 3310/4885ALOX15 3157/4885CD69 4550/4885

“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.