SCHEMBL935547

SCHEMBL935547

NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)O.[N]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
CNR2 P34972 6/20 0.51
NAALAD2 Q9Y3Q0 1/20 0.50
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
POLB P06746 1/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CA2 P00918 2/20 0.48
CA1 P00915 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB5 P28074 1/20 0.46

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
SCHEMBL236526 0.98 KMT2A (0.58) KMT2ACNR2NAALAD2MMP2MMP9
SCHEMBL6249941 0.98 KMT2A (0.58) KMT2ACNR2NAALAD2MMP2MMP9
SCHEMBL6249937 0.98 KMT2A (0.58) KMT2ACNR2NAALAD2MMP2MMP9
SCHEMBL236527 0.98 KMT2A (0.58) KMT2ACNR2NAALAD2MMP2MMP9
SCHEMBL3340721 0.97 KMT2A (0.57) KMT2ACNR2NAALAD2MMP2MMP9
SCHEMBL3340707 0.97 KMT2A (0.57) KMT2ACNR2NAALAD2MMP2MMP9
Phenylacetic Acid SCHEMBL6567966 0.94 KMT2A (0.54) KMT2ACNR2NAALAD2MMP2MMP9
SCHEMBL31499163 0.94 NAALAD2 (0.58) KMT2ACNR2NAALAD2MMP2MMP9
Glycine SCHEMBL28484996 0.93 KMT2A (0.53) KMT2ACNR2NAALAD2MMP2MMP9
SCHEMBL20302075 0.90 KMT2A (0.50) KMT2ACNR2NAALAD2MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238230-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE OF MEDICINE 2024-07-18 US disclosed
US-11786494-B2 Methods of modulation of branched chain acids and uses thereof BAYLOR COLLEGE OF MEDICINE (US) 2023-10-17 US disclosed
US-20200147016-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2020-05-14 US disclosed
US-20190151268-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2019-05-23 US disclosed
US-10092532-B2 Methods of modulation of branched chain acids and uses thereof BAYLOR COLLEGE OF MEDICINE (US) 2018-10-09 US disclosed
US-20170312238-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF ACER THERAPEUTICS INC. 2017-11-02 US disclosed
US-9737499-B2 Methods of modulation of branched chain acids and uses thereof BAYLOR COLLEGE OF MEDICINE (US) 2017-08-22 US disclosed
EP-3100610-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF Baylor College Of Medicine (US) 2016-12-07 EP disclosed
US-20150359765-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2015-12-17 US disclosed
EP-2954780-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF Baylor College Of Medicine (US) 2015-12-16 EP disclosed
EP-2456304-B1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE MEDICINE (US) 2015-08-19 EP disclosed
US-9078865-B2 Methods of modulation of branched chain acids and uses thereof BAYLOR COLLEGE OF MEDICINE (US) 2015-07-14 US disclosed
US-20120220661-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2012-08-30 US disclosed
EP-2456304-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF Baylor College Of Medicine (US) 2012-05-30 EP disclosed
WO-2011011781-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2011-01-27 WO disclosed
US-4284647-A ADMINISTERING BENZOIC OR PHENYLACETIC ACID THE JOHNS HOPKINS UNIVERSITY (US) 1981-08-18 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 (8 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-20190151268-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK KMT2A 2786/4885CNR2 4489/4885NAALAD2 1440/4885
US-20240238230-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK KMT2A 2786/4885CNR2 4489/4885NAALAD2 1440/4885
US-10092532-B2 Methods of modulation of branched chain acids and uses thereof OAT, ABAT, BCKDK KMT2A 2786/4885CNR2 4489/4885NAALAD2 1440/4885
US-20120220661-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK KMT2A 2786/4885CNR2 4489/4885NAALAD2 1440/4885
US-20170312238-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK KMT2A 2786/4885CNR2 4489/4885NAALAD2 1440/4885
US-20150359765-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK KMT2A 2786/4885CNR2 4489/4885NAALAD2 1440/4885
US-20200147016-A1 METHODS OF MODULATION OF BRANCHED CHAIN ACIDS AND USES THEREOF OAT, ABAT, BCKDK KMT2A 2786/4885CNR2 4489/4885NAALAD2 1440/4885
US-11786494-B2 Methods of modulation of branched chain acids and uses thereof OAT, ABAT, BCKDK KMT2A 2786/4885CNR2 4489/4885NAALAD2 1440/4885

“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.