SCHEMBL2415459

SCHEMBL2415459

O=C(O)c1cc(-c2ccc(CN(Cc3ccc(F)cc3)C(=O)c3ccc(Br)cc3)cc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.51
PPARA Q07869 1/20 0.50
STING1 Q86WV6 1/20 0.50
MCL1 Q07820 5/20 0.47
ACMSD Q8TDX5 5/20 0.45
DHFR P00374 2/20 0.45
HNF4A P41235 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TTR P02766 1/20 0.44
ALB P02768 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL2414649 0.91 STAT3 (0.58) STAT3MCL1ACMSDDHFRHNF4A
SCHEMBL2412122 0.89 MCL1 (0.59) STAT3MCL1ACMSDDHFRHNF4A
SCHEMBL2415460 0.84 ROCK1 (0.42) STAT3KDM4ELMNAHSD17B10MCHR1
SCHEMBL2415565 0.83 STAT3 (0.51) STAT3MCL1ACMSDDHFRHNF4A
SCHEMBL14015153 0.82 GABRA1 (0.49) PPARASTING1USP2ALDH1A1HPGD
SCHEMBL2411426 0.80 LPAR1 (0.56) STAT3PPARASTING1KDM4ELMNA
SCHEMBL330405 0.77 ACMSD (0.72) PPARASTING1MCL1ACMSDDHFR
SCHEMBL12655702 0.76 KAT8 (0.55) STAT3PPARASTING1MCL1HPGD
SCHEMBL2414719 0.76 SNCA (0.51) PPARASTING1MCL1ACMSDDHFR
SCHEMBL3695268 0.75 ACMSD (0.70) PPARASTING1MCL1ACMSDDHFR

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
WO-2020148325-A1 NEUTRAL LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-07-23 WO disclosed
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS PHENEX-FXR GMBH (DE) 2020-04-30 US disclosed
EP-1828107-B1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-28 EP disclosed
EP-1828107-B1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-28 EP disclosed
US-7453009-B2 Hydroxybiphenyl carboxylic acids and derivatives, method for producing the same and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-18 US disclosed
US-7453009-B2 Hydroxybiphenyl carboxylic acids and derivatives, method for producing the same and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-11-18 US disclosed
US-20080027134-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-31 US disclosed
US-20080027134-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-31 US disclosed
EP-1828107-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE Sanofi-Aventis Deutschland GmbH (DE) 2007-09-05 EP disclosed
WO-2006063697-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-22 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 (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-20080027134-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE GPR119, HACL2, HCAR2 STAT3 2761/4885PPARA 231/4885STING1 4132/4885
US-20200131144-A1 AMINE OR (THIO)AMIDE CONTAINING LXR MODULATORS NR1H2, NR1H3, NR1H4 STAT3 1485/4885PPARA 34/4885STING1 2769/4885

“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.