SCHEMBL2209028

SCHEMBL2209028

CSC(Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
CPA3 P15088 3/20 0.48
CPA1 P15085 2/20 0.48
FOLH1 Q04609 1/20 0.48
CPB1 P15086 1/20 0.48
CPB2 Q96IY4 1/20 0.48
POLB P06746 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 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
SCHEMBL16556234 0.87 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL11514986 0.85 EPHX1 (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL11301059 0.83 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL24513227 0.82 MMP9 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4842827 0.81 ALPI (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL21961161 0.81 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL839467 0.81 ALPI (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL839468 0.81 ALPI (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL1855157 0.78 CYP1A2 (0.53) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL9395382 0.77 ALPI (0.49) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022224035-A2 ANTI-GM1 ANTIBODY BINDING COMPOUNDS POLYNEURON PHARMACEUTICALS AG (CH) 2022-10-27 WO disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-9760030-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-09-12 US disclosed
US-8791268-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-29 US disclosed
US-8642775-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-07-28 US disclosed
EP-2146962-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2010-01-27 EP disclosed
US-20080262039-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2008-10-23 US disclosed
WO-2008125337-A2 NOVEL VANILLOID RECEPTOR LIGANDS AND THE USE THEREOF FOR THE PRODUCTION OF PHARMACEUTICALS Grünenthal GmbH (DE) 2008-10-23 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-20080262039-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions TRPV1, TRPV2, TRPV3 CYP1A2 1630/4885ALPI 1334/4885PKM 1754/4885
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions TRPV1, TRPV2, TRPV3 CYP1A2 1630/4885ALPI 1334/4885PKM 1754/4885

“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.