SCHEMBL14645765

SCHEMBL14645765

COc1ccc(Br)c(CC(C)(C(=O)O)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
POLB P06746 2/20 0.40
HPGD P15428 1/20 0.40
HDAC1 Q13547 1/20 0.39
PTGS1 P23219 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
PPARA Q07869 1/20 0.38
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL7352155 0.82 HSD17B10 (0.48) HSD17B10KEAP1NFE2L2POLBHPGD
SCHEMBL17385951 0.81 IDO1 (0.41) HSD17B10HPGDHTR1ASLC6A4
SCHEMBL8015240 0.80 IDO1 (0.43) HSD17B10HTR1ASLC6A4
SCHEMBL2742615 0.78 HSD17B10 (0.68) HSD17B10POLBHPGDPTGS1AKR1C3
SCHEMBL3594266 0.77 MEN1 (0.47) HSD17B10POLBHPGDNPC1MAPT
Bromide SCHEMBL29853696 0.76 HSD17B10 (0.66) HSD17B10POLBHPGDPTGS1AKR1C3
SCHEMBL25367856 0.76 IDO1 (0.42) HSD17B10HTR1ASLC6A4
SCHEMBL9037504 0.75 POLB (0.65) HSD17B10POLBHPGDHDAC1KDM4E
SCHEMBL2001551 0.75 HSD17B10 (0.44) HSD17B10HPGDHTR1ASLC6A4
SCHEMBL16393647 0.74 RIPK1 (0.47) HPGDKDM4EPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746301-B1 Catalyst BOREALIS AG (AT) 2018-05-30 EP disclosed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 EP disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US disclosed
US-9598517-B2 Catalysts BOREALIS AG (AT) 2017-03-21 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20150344596-A1 CATALYSTS BOREALIS AG (AT) 2015-12-03 US disclosed
US-9187583-B2 Catalysts BOREALIS AG (AT) 2015-11-17 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
WO-2014096166-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 WO disclosed
EP-2746301-A1 Catalyst Borealis AG (AT) 2014-06-25 EP disclosed
EP-2729479-A1 CATALYSTS Borealis AG (AT) 2014-05-14 EP disclosed
WO-2013007650-A1 CATALYSTS BOREALIS AG (AT) 2013-01-17 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-20160024123-A1 Asymmetrical Ligands CCRL2, AR, CCR2 HSD17B10 694/4885KEAP1 1726/4885NFE2L2 280/4885
US-20150344596-A1 CATALYSTS SFN, AP3S1, H1-2 HSD17B10 1261/4885KEAP1 3093/4885NFE2L2 823/4885

“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.