SCHEMBL3095623

SCHEMBL3095623

CCOCc1oc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KDM4E B2RXH2 5/20 0.44
CFTR P13569 1/20 0.43
ERAP1 Q9NZ08 1/20 0.41
FFAR1 O14842 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HIF1A Q16665 1/20 0.36
AR P10275 1/20 0.36
MYC P01106 1/20 0.36
MAX P61244 1/20 0.36
HSP90AA1 P07900 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL3905609 0.91 MAPT (0.43) MAPTKDM4EERAP1FFAR1MRGPRX4
SCHEMBL3101610 0.89 KDM4E (0.46) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3105122 0.88 KDM4E (0.47) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3905258 0.86 MAPT (0.44) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL5860698 0.84 KDM4E (0.46) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3913204 0.84 KDM4E (0.44) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3100382 0.82 KDM4E (0.45) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3101093 0.79 CFTR (0.50) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3095895 0.78 KDM4E (0.47) MAPTKDM4ECFTRERAP1FFAR1
SCHEMBL3906472 0.78 CYP1A1 (0.39) MAPTKDM4EERAP1FFAR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR MAPT 4877/4885KDM4E 2280/4885CFTR 801/4885

“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.