SCHEMBL1100877

SCHEMBL1100877

CCCN(Cc1ccc(C(=O)OC)cc1)c1nc(-c2ccc(C(F)(F)F)cc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.51
GIPR P48546 12/20 0.51
SIRT5 Q9NXA8 1/20 0.48
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
ATP4A P20648 2/20 0.45
ATP4B P51164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GSTO1 P78417 1/20 0.44
S1PR1 P21453 1/20 0.42

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
SCHEMBL1100396 0.90 GCGR (0.49) GCGRGIPRSIRT5TP53MAPT
SCHEMBL1746924 0.87 KMT2A (0.52) TP53MAPTALDH1A1L3MBTL1GSTO1
SCHEMBL1099079 0.85 ATP4A (0.48) GCGRGIPRATP4AATP4BALDH1A1
SCHEMBL2647516 0.81 GCGR (0.73) GCGRGIPR
SCHEMBL7221406 0.80 MAPT (0.59) SIRT5TP53MAPTATP4AATP4B
SCHEMBL1745385 0.79 PPARD (0.55) GCGRGIPRATP4AATP4B
SCHEMBL1744789 0.79 KMT2A (0.54) TP53MAPTALDH1A1L3MBTL1GSTO1
SCHEMBL3451487 0.79 KMT2A (0.54) TP53MAPTALDH1A1L3MBTL1GSTO1
SCHEMBL1198879 0.78 ALDH1A1 (0.56) GCGRGIPRSIRT5TP53MAPT
SCHEMBL28715169 0.78 ALDH1A1 (0.56) GCGRGIPRSIRT5TP53MAPT

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-1916234-B1 CYCLOPROPANECARBOXYLIC ACID COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-1916234-B1 CYCLOPROPANECARBOXYLIC ACID COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 US disclosed
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 US disclosed
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 US disclosed
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100144806-A1 Cyclopropanecarboxylic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
EP-1916234-A1 CYCLOPROPANECARBOXYLIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-30 EP disclosed
EP-1916234-A1 CYCLOPROPANECARBOXYLIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-30 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-20100144806-A1 Cyclopropanecarboxylic Acid Compound GPR65, GPR34, GPR68 GCGR 89/4885GIPR 98/4885SIRT5 2442/4885

“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.