SCHEMBL1100447

SCHEMBL1100447

COC(=O)C1CC1c1ccc(OCc2ccc(CN(CCC(C)C)c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.40
GCGR P47871 3/20 0.39
GIPR P48546 3/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
ALOX5 P09917 1/20 0.38
PSEN1 P49768 1/20 0.38
FFAR1 O14842 7/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
PPARD Q03181 1/20 0.37
IDO1 P14902 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL1100928 0.93 FFAR1 (0.42) GCGRGIPRKDM1AMAOBATP4A
SCHEMBL1101043 0.92 ATP4A (0.43) SMPD1GCGRGIPRKDM1AMAOB
Bicarbonate SCHEMBL16223879 0.86 ALOX5 (0.41) GCGRGIPRATP4AATP4BALOX5
SCHEMBL1100051 0.85 ALOX5 (0.45) GCGRGIPRKDM1AMAOBATP4A
SCHEMBL3920620 0.84 PPARD (0.45) SMPD1GCGRGIPRATP4AATP4B
SCHEMBL3917969 0.82 PPARD (0.53) GCGRGIPRATP4AATP4BALOX5
SCHEMBL1100396 0.79 GCGR (0.49) GCGRGIPRALDH1A1L3MBTL1
Bicarbonate SCHEMBL16224031 0.78 ATP4A (0.46) GCGRGIPRATP4AATP4BALOX5
SCHEMBL1100798 0.76 GCGR (0.44) GCGRGIPRATP4AATP4BALDH1A1
SCHEMBL1745385 0.74 PPARD (0.55) GCGRGIPRATP4AATP4BALOX5

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 SMPD1 1314/4885GCGR 89/4885GIPR 98/4885

“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.