SCHEMBL97113

SCHEMBL97113

O=[C]c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
GPR3 P46089 3/20 0.44
MAPT P10636 3/20 0.42
ACACB O00763 1/20 0.41
KIF11 P52732 1/20 0.41
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPAS1 Q99814 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL17103328 0.83 EPHX2 (0.32) EPHX2ACACB
SCHEMBL17103390 0.83 MAPT (0.32) EPHX2MAPTACACB
SCHEMBL28659226 0.81 ACACB (0.50) EPHX2GPR3MAPTACACBKIF11
SCHEMBL465605 0.81 ALDH1A1 (0.42) EPHX2MAPTACACBKMT2AALDH1A1
SCHEMBL254957 0.80 MAPT (0.56) EPHX2GPR3MAPTKIF11KMT2A
SCHEMBL17103575 0.79 EPHX2 (0.31) EPHX2
SCHEMBL28381237 0.78 SLC6A4 (0.35) EPHX2MAPTACACB
SCHEMBL40631 0.77 MAPT (0.42) EPHX2GPR3MAPTACACBKIF11
SCHEMBL9636889 0.77 MAPT (0.42) EPHX2GPR3MAPTACACBKIF11
SCHEMBL3194834 0.77 GPR3 (0.39) EPHX2GPR3PIM1NOTUMMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2018114663-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
US-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US claimed
CN-1930162-B Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD 2010-06-16 CN claimed
EP-1725553-B1 TETRAHYDROPYRIDOINDOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-05-07 EP claimed
US-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-08-30 US claimed
US-20070191416-A1 Tetrahydropyridoindole derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2007-08-16 US claimed
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-14 US claimed
US-7226921-B2 Compounds and compositions as cathepsin S inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-06-05 US claimed
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS INC. 2003-10-23 US claimed
US-20030158231-A1 Sulfonamide compounds as protease inhibitors Celera Corporation 2003-08-21 US claimed
WO-2003042197-A1 OLIGOPEPTIDES AND COMPOSITIONS CONTAINING THEM AS CATHEPSIN S INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-05-22 WO claimed
WO-2003024924-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2003-03-27 WO claimed
WO-2003024923-A1 SULFONAMIDE COMPOUNDS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-03-27 WO claimed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US claimed
EP-1212302-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-06-12 EP claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
WO-2001019796-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
US-3960945-A 4-[-(Alkoxy or polyhaloalkoxy)-benzamido]cyclohexanones STERLING DRUG INC. (US) 1976-06-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20070203138-A1 Novel Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSE EPHX2 1924/4885GPR3 2699/4885MAPT 1877/4885
US-20100234396-A1 Tetrhydropyridoindole Derivatives TPH2, TPH1, HTR5A EPHX2 864/4885GPR3 699/4885MAPT 375/4885
US-20030158231-A1 Sulfonamide compounds as protease inhibitors PRSS1, PRSS3, SPINT2 EPHX2 1078/4885GPR3 3863/4885MAPT 2884/4885
US-20030199506-A1 Novel compounds and compositions as cathepsin S inhibitors CTSS, CTSB, CTSE EPHX2 2102/4885GPR3 2836/4885MAPT 1892/4885
US-20070135386-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE EPHX2 1860/4885GPR3 2970/4885MAPT 2116/4885
US-20070191416-A1 Tetrahydropyridoindole derivatives TPH2, TPH1, HTR2C EPHX2 1300/4885GPR3 739/4885MAPT 155/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD EPHX2 1063/4885GPR3 2184/4885MAPT 4075/4885

“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.