SCHEMBL1508635

SCHEMBL1508635

O[C@H]1CCc2c1cc(F)cc2C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
CMA1 P23946 1/20 0.37
EPAS1 Q99814 3/20 0.35
VEGFA P15692 1/20 0.35
UGT2B17 O75795 2/20 0.34
S1PR1 P21453 4/20 0.32
P2RX7 Q99572 1/20 0.31

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
SCHEMBL15532270 1.00 CYP11B1 (0.46) CYP11B1CYP11B2CMA1EPAS1VEGFA
SCHEMBL15533210 0.81 CYP11B1 (0.42) CYP11B1CYP11B2EPAS1UGT2B17S1PR1
SCHEMBL15532010 0.81 CYP11B1 (0.42) CYP11B1CYP11B2UGT2B17S1PR1
SCHEMBL9279331 0.81 UGT2B17 (0.51) CYP11B1CYP11B2UGT2B17S1PR1
SCHEMBL16790852 0.79 CMA1 (0.37) CYP11B1CYP11B2CMA1
SCHEMBL29895192 0.78 IDO1 (0.39) CYP11B1CYP11B2EPAS1VEGFAUGT2B17
SCHEMBL22143614 0.78 IDO1 (0.39) CYP11B1CYP11B2EPAS1VEGFAUGT2B17
SCHEMBL8612191 0.78 IDO1 (0.39) CYP11B1CYP11B2EPAS1VEGFAUGT2B17
SCHEMBL1688155 0.76 CMA1 (0.35) CYP11B1CYP11B2CMA1
SCHEMBL24387388 0.75 EPAS1 (0.37) CYP11B1CYP11B2EPAS1VEGFAUGT2B17

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 9 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-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 CYP11B1 79/4885CYP11B2 106/4885CMA1 564/4885
US-20120302566-A1 INDANYLOXYDIHYDROBENZOFURANYLACETIC ACIDS GPR119, INSR, GPR52 CYP11B1 383/4885CYP11B2 482/4885CMA1 1465/4885

“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.