SCHEMBL13745377

SCHEMBL13745377

N[C@]1(C(=O)O)CCc2cc(C(=O)O)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
MAPT P10636 3/20 1.00
CYP2C19 P33261 2/20 1.00
ALDH1A1 P00352 2/20 1.00
POLB P06746 1/20 1.00
BLM P54132 1/20 1.00
GRM1 Q13255 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
MEN1 O00255 1/20 1.00
MAPK1 P28482 1/20 1.00
KMT2A Q03164 1/20 1.00
CYP1A2 P05177 1/20 0.62
ALOX15 P16050 1/20 0.62
GRM2 Q14416 1/20 0.62
KDM1A O60341 4/20 0.54
RXRA P19793 4/20 0.42
SRD5A2 P31213 4/20 0.41
SRD5A1 P18405 3/20 0.41
RAD52 P43351 1/20 0.40
RXRB P28702 3/20 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
SCHEMBL1809924 1.00 KDM4E (1.00) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL391979 1.00 KDM4E (1.00) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL7405059 0.91 KDM4E (0.83) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL7400117 0.89 KDM4E (0.79) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL23963695 0.82 KDM4E (0.69) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL7403597 0.82 KDM4E (0.69) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL17604912 0.81 KDM4E (0.68) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL20693656 0.81 KDM4E (0.68) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL17605162 0.81 KDM4E (0.68) KDM4EMAPTCYP2C19ALDH1A1POLB
SCHEMBL29802007 0.81 KDM4E (0.68) KDM4EMAPTCYP2C19ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200085790-A1 BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROLOGICAL DISORDERS PHARNEXT (FR) 2020-03-19 US disclosed
US-20170231958-A1 BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROLOGICAL DISORDERS PHARNEXT S.A. (FR) 2017-08-17 US disclosed
US-9636316-B2 Baclofen and acamprosate based therapy of neurological disorders PHARNEXT (FR) 2017-05-02 US disclosed
US-20160000736-A1 BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROLOGICAL DISORDERS PHARNEXT S.A. (FR) 2016-01-07 US disclosed
US-9144558-B2 Baclofen and acamprosate based therapy of neurological disorders PHARNEXT (FR) 2015-09-29 US disclosed
US-20140378440-A1 BACLOFEN AND ACAMPROSATE BASED THERAPY OF NEUROLOGICAL DISORDERS PHARNEXT S.A. (FR) 2014-12-25 US disclosed
US-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE NEWTHERA (FR) 2009-08-20 US disclosed
US-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE NEWTHERA (FR) 2009-08-20 US disclosed
WO-2007017768-A2 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE NEWTHERA (FR) 2007-02-15 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 (1 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-20090209474-A1 NOVEL USES FOR DRUGS TARGETING GLUTAMINE SYNTHETASE GLUL, GLS2, ASNS KDM4E 2324/4885MAPT 4237/4885CYP2C19 874/4885

“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.