SCHEMBL1788682

SCHEMBL1788682

NC(=O)c1ccc(-c2cccc(O)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.65
HSD17B2 P37059 7/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C9 P11712 2/20 0.65
PARP1 P09874 1/20 0.62
HPGDS O60760 4/20 0.56
MKNK1 Q9BUB5 4/20 0.54
MKNK2 Q9HBH9 4/20 0.54
ERN1 O75460 1/20 0.53
DHODH Q02127 1/20 0.50
ESR1 P03372 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
ESR2 Q92731 1/20 0.50
EGFR P00533 1/20 0.50

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
SCHEMBL30958373 1.00 HSD17B1 (0.65) HSD17B1HSD17B2CYP3A4CYP2C9PARP1
SCHEMBL21295488 0.89 PARP1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9PARP1
SCHEMBL1147444 0.86 PARP1 (0.77) HSD17B1HSD17B2CYP3A4CYP2C9PARP1
SCHEMBL22367342 0.85 MKNK1 (0.64) CYP3A4PARP1MKNK1MKNK2ERN1
SCHEMBL4677929 0.84 HSD17B1 (0.71) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL2589651 0.84 ERN1 (0.60) CYP3A4PARP1MKNK1MKNK2ERN1
Urea SCHEMBL28406941 0.83 HSD17B1 (0.68) HSD17B1HSD17B2CYP3A4CYP2C9PARP1
SCHEMBL29876804 0.82 EGFR (0.72) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL323567 0.82 EGFR (0.72) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL27373843 0.82 HSD17B1 (0.60) HSD17B1HSD17B2CYP3A4CYP2C9PARP1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3865472-B1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LTD (IE) 2024-06-12 EP disclosed
EP-3865472-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA Therapeutics Limited (IE) 2021-08-18 EP disclosed
US-10966994-B2 Thromboxane receptor antagonists ATXA THERAPEUTICS LIMITED (IE) 2021-04-06 US disclosed
US-10966994-B2 Thromboxane receptor antagonists ATXA THERAPEUTICS LIMITED (IE) 2021-04-06 US disclosed
EP-3310756-B1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LTD (IE) 2020-12-09 EP disclosed
US-20190336513-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LIMITED (IE) 2019-11-07 US disclosed
US-10357504-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2019-07-23 US disclosed
US-10357504-B2 Thromboxane receptor antagonists UNIVERSITY COLLEGE DUBLIN, NATIONAL UNIVERSITY OF IRELAND, DUBLIN (IE) 2019-07-23 US disclosed
US-20180179152-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LIMITED (IE) 2018-06-28 US disclosed
US-20180179152-A1 THROMBOXANE RECEPTOR ANTAGONISTS ATXA THERAPEUTICS LIMITED (IE) 2018-06-28 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
WO-2010025235-A1 SELECTIVE LIGANDS FOR THE DOPAMINE 3 (D3) RECEPTOR AND METHODS OF USING THE SAME REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-03-04 WO disclosed
EP-2054383-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SmithKline Beecham Corporation (US) 2009-05-06 EP disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 WO disclosed
WO-2008021849-A2 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 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 (6 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 HSD17B1 2970/4885HSD17B2 2553/4885CYP3A4 1734/4885
US-10966994-B2 Thromboxane receptor antagonists TBXA2R, TBXAS1, PTGIR HSD17B1 2031/4885HSD17B2 1597/4885CYP3A4 1009/4885
US-20190336513-A1 THROMBOXANE RECEPTOR ANTAGONISTS TBXA2R, PTGER2, PTGER1 HSD17B1 1247/4885HSD17B2 820/4885CYP3A4 518/4885
US-20180179152-A1 THROMBOXANE RECEPTOR ANTAGONISTS TBXA2R, PTGER2, PTGER1 HSD17B1 1247/4885HSD17B2 820/4885CYP3A4 518/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 HSD17B1 1414/4885HSD17B2 895/4885CYP3A4 3961/4885
US-10357504-B2 Thromboxane receptor antagonists TBXA2R, PTGER2, PTGER1 HSD17B1 1247/4885HSD17B2 820/4885CYP3A4 518/4885

“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.