SCHEMBL1246028

SCHEMBL1246028

CC(C)(c1ccc(O)cc1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.58
ESR2 Q92731 11/20 0.58
CYP3A4 P08684 3/20 0.56
LMNA P02545 1/20 0.56
TYR P14679 1/20 0.56
AR P10275 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR6 P50406 1/20 0.56
ESRRG P62508 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HSD17B10 Q99714 1/20 0.56
PDE2A O00408 1/20 0.52
KIF11 P52732 1/20 0.50
ALDH1A1 P00352 2/20 0.48
SHBG P04278 1/20 0.46
KDM4E B2RXH2 1/20 0.40
TP53 P04637 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
SCHEMBL8069687 0.84 ESR1 (0.68) ESR1ESR2CYP3A4LMNATYR
SCHEMBL4544581 0.80 ESR1 (0.58) ESR1ESR2CYP3A4LMNATYR
SCHEMBL3685250 0.80 ESR1 (0.58) ESR1ESR2CYP3A4LMNATYR
SCHEMBL14849087 0.79 ESR1 (0.62) ESR1ESR2CYP3A4LMNATYR
SCHEMBL10183591 0.79 PDE2A (0.56) LMNATYRHPGDTSHRHSD17B10
SCHEMBL4449332 0.79 ESR1 (0.62) ESR1ESR2CYP3A4LMNATYR
SCHEMBL14309198 0.79 ESR1 (0.62) ESR1ESR2CYP3A4LMNATYR
SCHEMBL9844421 0.79 ESR1 (0.62) ESR1ESR2CYP3A4LMNATYR
SCHEMBL8482502 0.78 ESR1 (0.56) ESR1ESR2CYP3A4LMNATYR
SCHEMBL26548513 0.78 NR1H2 (0.59) PDE2A

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523293-B1 SUBSTITUTED PYRROLIDINES AND THEIR USE IN THE TREATMENT OF CYSTIC FIIBROSIS ABBVIE OVERSEAS SARL (LU) 2021-06-16 EP disclosed
EP-3523293-A1 SUBSTITUTED PYRROLIDINES AND THEIR USE IN THE TREATMENT OF CYSTIC FIIBROSIS Abbvie S.a.r.l. (LU) 2019-08-14 EP disclosed
US-9981910-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2018-05-29 US disclosed
WO-2018065962-A1 SUBSTITUTED PYRROLIDINES AND THEIR USE IN THE TREATMENT OF CYSTIC FIIBROSIS AbbVie S.à.r.l. (LU) 2018-04-12 WO disclosed
US-20180099931-A1 Substituted Pyrrolidines and Methods of Use ABBVIE S.Á.R.L. (LU) 2018-04-12 US disclosed
EP-1861359-B1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER (US) 2012-11-14 EP disclosed
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
US-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS HANAZAWA TAKESHI 2011-06-23 US disclosed
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. 2011-05-26 US disclosed
EP-1866278-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2007-12-19 EP disclosed
EP-1861359-A1 N-(N-SULFONYLAMINOMETHYL)CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN Pfizer, Inc. (US) 2007-12-05 EP disclosed
EP-1824837-A1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS Pfizer, Inc. (US) 2007-08-29 EP disclosed
US-7214824-B2 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER INC. (US) 2007-05-08 US disclosed
WO-2006097817-A9 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC (JP) 2006-12-07 WO disclosed
WO-2006103503-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-10-05 WO disclosed
WO-2006097817-A1 N- (N-SULFONYLAMINOMETHYL) CYCLOPROPANECARBOXAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF PAIN PFIZER JAPAN INC. (JP) 2006-09-21 WO disclosed
US-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists PFIZER, INC. 2006-09-21 US disclosed
WO-2006051378-A1 SUBSTITUTED N-SULFONYLAMINOBENZYL-2-PHENOXY ACETAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2006-05-18 WO disclosed
US-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists PFIZER, INC. 2006-05-11 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-20060211741-A1 Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as VR1 receptor antagonists CNR1, HVCN1, CNR2 ESR1 773/4885ESR2 806/4885CYP3A4 1384/4885
US-20180099931-A1 Substituted Pyrrolidines and Methods of Use CFTR, PKD1, PKD2 ESR1 4096/4885ESR2 3479/4885CYP3A4 834/4885
US-20110152326-A1 SUBSTITUTED ARYLOXOETHYL CYCLOPROPANECARBOXAMIDE COMPOUNDS AS VR1 RECEPTOR ANTAGONISTS OPRL1, CNR1, TRPV1 ESR1 755/4885ESR2 618/4885CYP3A4 575/4885
US-20060100460-A1 Substituted N-sulfonylaminobenzyl-2-phenoxyacetamide compounds as VR1 receptor agonists CNR1, AVPR1A, OPRL1 ESR1 717/4885ESR2 767/4885CYP3A4 2120/4885
US-20110124661-A1 OXAZOLOBENZIMIDAZOLE DERIVATIVES GRM2, GRM1, GRM3 ESR1 923/4885ESR2 311/4885CYP3A4 3243/4885

“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.