SCHEMBL5652167

SCHEMBL5652167

Oc1ccc(Cc2ccsc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.61
ESR2 Q92731 2/20 0.61
LTA4H P09960 3/20 0.44
TAAR1 Q96RJ0 1/20 0.43
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MET P08581 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
KEAP1 Q14145 1/20 0.41
ABAT P80404 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL9357255 0.83 TAAR1 (0.56) LTA4HTAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL4312306 0.82 CYP17A1 (0.66) ESR1ESR2LTA4HCYP17A1CYP11B1
SCHEMBL8304372 0.78 PTGS1 (0.45) LTA4HTAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL18723295 0.78 NPC1 (0.55) LTA4HTAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL20751464 0.78 IDH1 (0.46) LTA4HTAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL1680523 0.78 TAAR1 (0.54) LTA4HTAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL27968336 0.78 DRD2 (0.44) LTA4HTAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL28180421 0.78 LTA4H (0.44) LTA4HTAAR1CYP17A1CYP11B1CYP11B2
SCHEMBL36454 0.78 ESR1 (1.00) ESR1ESR2LTA4HTAAR1KEAP1
SCHEMBL2969737 0.78 ESR1 (1.00) ESR1ESR2LTA4HTAAR1KEAP1

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
CN-1558765-B Enantiomerically pure opioid diarylmethylpiperazines and methods of use thereof ARDENT PHARMACEUTICALS INC 2012-01-04 CN disclosed
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
CN-1326519-C Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2007-07-18 CN disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
CN-1602191-A Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK AS (DK) 2005-03-30 CN disclosed
CN-1558765-A Enantiomerically pure opioid diarylmethylpiperazines and methods of use thereof ������ҩ�����޹�˾ 2004-12-29 CN disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL ESR1 1412/4885ESR2 683/4885LTA4H 69/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL ESR1 890/4885ESR2 326/4885LTA4H 133/4885

“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.