SCHEMBL3678243

SCHEMBL3678243

CCn1cc(C(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.38
ASPH Q12797 1/20 0.38
NOTUM Q6P988 4/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
DAO P14920 1/20 0.34
FABP4 P15090 1/20 0.34
SORT1 Q99523 1/20 0.34
DHODH Q02127 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MEN1 O00255 1/20 0.33
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
PTGS1 P23219 1/20 0.33
KMT2A Q03164 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL3163182 0.81 TAS2R14 (0.35) TAS2R14ASPHNOTUMAKR1C3AKR1C2
SCHEMBL10428332 0.78 TAS2R14 (0.35) TAS2R14ASPHAKR1C3AKR1C2FABP4
SCHEMBL70872 0.76 TAS2R14 (0.41) TAS2R14ASPHNOTUMAKR1C3AKR1C2
SCHEMBL25193874 0.74 DGAT1 (0.37) TAS2R14ASPHDHODHHDAC6
SCHEMBL969676 0.73 NOTUM (0.39) NOTUMMEN1ABCC4LMNAPKM
SCHEMBL20605804 0.71 MAP2K2 (0.48) TAS2R14ASPHNOTUMAKR1C3AKR1C2
SCHEMBL6982627 0.71
SCHEMBL2186999 0.69 KDM4E (0.42) HDAC6
Ether SCHEMBL9150711 0.66 CFTR (0.40) ASPHNOTUMAKR1C3AKR1C2SORT1
SCHEMBL3675554 0.66 PTGER1 (0.45) MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162445-B1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2013-11-27 EP disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
EP-2162445-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2010-03-17 EP disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed
WO-2008150015-A1 HETEROBICYCLIC COMPOUNDS AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-11 WO disclosed
CN-1267419-C Trifluoromethylpyrrole carboxamides and trifluoromethylpyrrolethionamides as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2006-08-02 CN disclosed
CN-1437583-A Trifluoromethylpyrrole carboxamides and trifluoromethylpyrrolethionamides as fungicides SYNGENTA PARTICIPATIONS AG (CH) 2003-08-20 CN disclosed
US-5204332-A PYRROLE CARBONITRILE AND NITROPYRROLE INSECTICIDAL AND ACARICIDAL AND MOLLUSCICIDAL AGENTS AMERICAN CYANAMID COMPANY (US) 1993-04-20 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 (1 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX TAS2R14 1315/4885ASPH 3158/4885NOTUM 2881/4885

“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.