SCHEMBL3432001

SCHEMBL3432001

NC(=O)[C@@H](O)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.60
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
CYP1A2 P05177 1/20 0.54
SRR Q9GZT4 2/20 0.50
SLC1A3 P43003 2/20 0.50
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
TRPA1 O75762 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MDM2 Q00987 1/20 0.48
SLC15A1 P46059 2/20 0.47
ANPEP P15144 1/20 0.47
LAP3 P28838 1/20 0.47
CPA1 P15085 1/20 0.47

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
SCHEMBL7474169 1.00 EPHX1 (0.60) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL414455 1.00 EPHX1 (0.60) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8995089 0.94 ALPI (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7180095 0.85 EPHX1 (0.44) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL180366 0.82 CYP1A2 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9578908 0.82 CYP1A2 (0.58) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL8953468 0.82 CYP1A2 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL57558 0.82 CYP1A2 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL197252 0.82 CYP1A2 (0.64) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27181805 0.81 SLC7A5 (0.55) EPHX1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117460722-A Nicotinamide RIPK1 inhibitors 艾伯维公司 2024-01-26 CN disclosed
EP-4301744-A1 NICOTINAMIDE RIPK1 INHIBITORS AbbVie Inc. (US) 2024-01-10 EP disclosed
US-11767310-B2 Nicotinamide RIPK1 inhibitors ABBVIE INC. (US) 2023-09-26 US disclosed
US-20230127127-A1 NICOTINAMIDE RIPK1 INHIBITORS ABBVIE INC. 2023-04-27 US disclosed
WO-2023018643-A1 NICOTINAMIDE RIPK1 INHIBITORS ABBVIE INC. (US) 2023-02-16 WO disclosed
WO-2023018643-A1 NICOTINAMIDE RIPK1 INHIBITORS ABBVIE INC. (US) 2023-02-16 WO disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-04-16 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 US disclosed
US-7759514-B2 Mu opioid receptor ligands: methods of use and synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-07-20 US disclosed
US-20090093534-A1 Mu opioid receptor ligands: methods of use and synthesis HARVARD COLLEGE, PRESIDENT AND FELLOWS OF (US) 2009-04-09 US disclosed
US-7223888-B2 Mu opioid receptor ligands: methods of use and synthesis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-05-29 US disclosed
US-20040254225-A1 Mu opioid receptor ligands: methods of use and synthesis HARVARD COLLEGE, PRESIDENT AND FELLOWS OF 2004-12-16 US disclosed
WO-2004033414-A1 MU OPIOID RECEPTOR LIGANDS: METHODS OF USE AND SYNTHESIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2004-04-22 WO disclosed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 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 (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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD EPHX1 297/4885ALPI 942/4885PKM 221/4885
US-20040254225-A1 Mu opioid receptor ligands: methods of use and synthesis OPRM1, OPRK1, OPRL1 EPHX1 1980/4885ALPI 4094/4885PKM 2230/4885
US-20090093534-A1 Mu opioid receptor ligands: methods of use and synthesis OPRM1, OPRK1, OPRL1 EPHX1 1980/4885ALPI 4094/4885PKM 2230/4885
US-20230127127-A1 NICOTINAMIDE RIPK1 INHIBITORS RIPK1, RIPK2, RIPK4 EPHX1 1985/4885ALPI 163/4885PKM 2255/4885
US-11767310-B2 Nicotinamide RIPK1 inhibitors RIPK1, RIPK2, RIPK4 EPHX1 1985/4885ALPI 163/4885PKM 2255/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD EPHX1 256/4885ALPI 3300/4885PKM 472/4885

“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.