SCHEMBL4325292

SCHEMBL4325292

Oc1ccc(Cc2ccc(-c3ccccc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.54
CYP2E1 P05181 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B1 P14061 3/20 0.49
HSD17B2 P37059 3/20 0.49
APP P05067 3/20 0.48
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
ESRRG P62508 2/20 0.44
MET P08581 1/20 0.43
MMP3 P08254 1/20 0.42
BCL2L1 Q07817 1/20 0.42
KEAP1 Q14145 1/20 0.42
PTPN1 P18031 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 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
SCHEMBL4316965 0.93 APP (0.53) TRPV1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL5972875 0.87 CYP2A6 (0.62) TRPV1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL7447859 0.79 PRKCI (0.54) TRPV1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27968335 0.79 CYP2E1 (0.62) TRPV1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL4310633 0.79 LTA4H (0.56) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL27968350 0.79 CYP2E1 (0.49) TRPV1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL13335779 0.77 APP (0.81) HSD17B1HSD17B2APPESR1ESR2
SCHEMBL1692333 0.76 SMN1; SMN2 (0.49) TRPV1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27968345 0.76 CYP3A4 (0.49) TRPV1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL27968487 0.76 CYP2E1 (0.62) TRPV1CYP2E1CYP3A4CYP2A6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101312948-B Biaryl substituted heterocycle inhibitors of lTA4H for treating inflammation DECODE GENETICS EHF 2015-01-14 CN disclosed
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
CN-101312948-A Biaryl substituted heterocycle inhibitors of lta4h for treating inflammation DECODE GENETICS EHF (IS) 2008-11-26 CN disclosed
US-7402684-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENECTICS EHF. (IS) 2008-07-22 US disclosed
EP-1926708-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION Decode Chemistry, Inc. (US) 2008-06-04 EP disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
WO-2007040682-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2007-04-12 WO disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 US 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 (3 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S TRPV1 609/4885CYP2E1 262/4885CYP3A4 209/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S TRPV1 609/4885CYP2E1 262/4885CYP3A4 209/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S TRPV1 609/4885CYP2E1 262/4885CYP3A4 209/4885

“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.