SCHEMBL3101002

SCHEMBL3101002

CCc1oc(-c2ccc(C(F)(F)F)cc2)cc1COc1ccc(C(=O)N(C)CCC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.43
PPARA Q07869 6/20 0.43
PPARG P37231 5/20 0.43
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 1/20 0.42
GCGR P47871 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RXRA P19793 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
PTGER4 P35408 1/20 0.39
SRD5A2 P31213 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL3106760 0.86 SPHK2 (0.46) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL3107388 0.85 PPARD (0.58) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL3113036 0.83 PPARD (0.40) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL3104908 0.83 PPARD (0.46) PPARDPPARAPPARGMEN1KMT2A
SCHEMBL3101589 0.83 GCGR (0.41) PPARDPPARAPPARGFFAR1GCGR
SCHEMBL3095600 0.82 GCGR (0.40) PPARDPPARAPPARGFFAR1GCGR
SCHEMBL3101633 0.80 SLC6A9 (0.42) PPARDFFAR1GCGRMEN1KMT2A
SCHEMBL3906291 0.79 PPARD (0.59) PPARDPPARAPPARGFFAR1FFAR4
SCHEMBL3101927 0.78 GCGR (0.49) GCGRPTGER4
SCHEMBL3093895 0.78 GCGR (0.42) PPARDFFAR1GCGRMEN1KMT2A

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 10 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
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-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US 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
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 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
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 PPARD 1129/4885PPARA 666/4885PPARG 456/4885

“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.