SCHEMBL1508573

SCHEMBL1508573

O=C(O)CCc1ccc(F)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.54
IDO1 P14902 2/20 0.50
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
FFAR1 O14842 3/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
P2RX7 Q99572 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 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
SCHEMBL29010092 0.92 IDO1 (0.49) FFAR4IDO1HDAC3HDAC1HDAC2
SCHEMBL30426988 0.89 F13A1 (0.47) FFAR4IDO1HDAC3HDAC1HDAC2
SCHEMBL5723611 0.85 IDO1 (0.53) FFAR4IDO1HDAC3HDAC1HDAC2
SCHEMBL17065498 0.83 FFAR4 (0.51) FFAR4FFAR1POLBNPSR1
SCHEMBL15094094 0.83 POLQ (0.51) FFAR4FFAR1
SCHEMBL892786 0.83 IDO1 (0.53) IDO1HDAC3HDAC1HDAC2HDAC6
SCHEMBL15532197 0.82 FFAR4 (0.45) FFAR4EPHX2PPARGFFAR1POLB
SCHEMBL15532382 0.82 POLQ (0.52) FFAR4HDAC6PPARGFFAR1NPSR1
SCHEMBL9886215 0.81 IDO1 (0.49) FFAR4IDO1HDAC3HDAC1HDAC2
SCHEMBL29009985 0.81 FFAR4 (0.41) FFAR4IDO1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO disclosed
CN-102076650-A Carboxylic acid compound DAIICHI SANKYO CO LTD 2011-05-25 CN disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 FFAR4 733/4885IDO1 3790/4885HDAC3 150/4885
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 FFAR4 26/4885IDO1 449/4885HDAC3 1881/4885

“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.