SCHEMBL1100396

SCHEMBL1100396

COC(=O)c1ccc(CN(CCC(C)C)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCGR P47871 15/20 0.49
GIPR P48546 13/20 0.49
SIRT5 Q9NXA8 1/20 0.46
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GSTO1 P78417 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1100877 0.90 GCGR (0.51) GCGRGIPRSIRT5TP53MAPT
SCHEMBL1100798 0.86 GCGR (0.44) GCGRGIPRALDH1A1L3MBTL1GSTO1
SCHEMBL3920620 0.82 PPARD (0.45) GCGRGIPRTP53ALDH1A1L3MBTL1
SCHEMBL3917969 0.80 PPARD (0.53) GCGRGIPR
SCHEMBL1100447 0.79 SMPD1 (0.40) GCGRGIPRALDH1A1L3MBTL1
SCHEMBL2647516 0.79 GCGR (0.73) GCGRGIPR
Bicarbonate SCHEMBL16223879 0.78 ALOX5 (0.41) GCGRGIPRALDH1A1L3MBTL1MEN1
SCHEMBL7221406 0.78 MAPT (0.59) SIRT5TP53MAPTALDH1A1L3MBTL1
SCHEMBL1746924 0.77 KMT2A (0.52) TP53MAPTALDH1A1L3MBTL1GSTO1
SCHEMBL1100928 0.77 FFAR1 (0.42) GCGRGIPRALDH1A1L3MBTL1MEN1

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 17 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-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 US disclosed
US-7786165-B2 Aminophenylpropanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-31 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
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 US disclosed
US-20080269220-A1 Aminophenylpropanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-10-30 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
EP-1726580-A1 AMINOPHENYLPROPANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2006-11-29 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 (2 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-20080269220-A1 Aminophenylpropanoic Acid Derivative GPR119, GPR55, GPR65 GCGR 50/4885GIPR 72/4885SIRT5 3508/4885
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.