SCHEMBL9280550

SCHEMBL9280550

COc1nccc(C(F)(F)F)c1I

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
NFE2L2 Q16236 4/20 0.40
LRRK2 Q5S007 1/20 0.38
ULK1 O75385 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
AHR P35869 1/20 0.33
AURKA O14965 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
APLNR P35414 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL24246943 0.82 SLC22A12 (0.44) SLC22A12NFE2L2LRRK2ULK1AHR
SCHEMBL13415859 0.81 SLC22A12 (0.40) SLC22A12NFE2L2LRRK2ULK1AHR
SCHEMBL30079551 0.79 SLC22A12 (0.40) SLC22A12NFE2L2LRRK2ULK1AHR
SCHEMBL677137 0.79 SLC22A12 (0.40) SLC22A12NFE2L2LRRK2ULK1AHR
SCHEMBL5942420 0.79 SLC22A12 (0.40) SLC22A12NFE2L2LRRK2ULK1AHR
SCHEMBL27298565 0.79 CCR4 (0.40) SLC22A12NFE2L2LRRK2ULK1SCN5A
SCHEMBL22175787 0.79 NFE2L2 (0.42) SLC22A12NFE2L2LRRK2ULK1AHR
SCHEMBL19756391 0.78 SLC22A12 (0.42) SLC22A12NFE2L2LRRK2ULK1AHR
SCHEMBL18319879 0.76 LRRK2 (0.37) SLC22A12NFE2L2LRRK2AHRAURKA
SCHEMBL31184382 0.76 LRRK2 (0.37) SLC22A12NFE2L2LRRK2AHRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646425-B1 Indanyloxydihydrobenzofuranylacetic acids useful for the treatment of metabolic syndrome BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
EP-2646425-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS Boehringer Ingelheim International GmbH (DE) 2013-10-09 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-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-29 US disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO disclosed
WO-2012072691-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 WO 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-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 SLC22A12 384/4885NFE2L2 470/4885LRRK2 2973/4885

“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.