SCHEMBL3684356

SCHEMBL3684356

Nc1cc(C(=O)O)cc(O)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HPGD P15428 2/20 0.56
MAPK1 P28482 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CA3 P07451 1/20 0.56
SELL P14151 1/20 0.56
SELP P16109 1/20 0.56
FUT4 P22083 1/20 0.56

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
SCHEMBL3174622 0.88 CA12 (0.64) CA12CA1CA2CA7CA9
SCHEMBL1000015 0.85 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL4269298 0.82 CA12 (0.70) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL1144809 0.80 CA12 (0.67) CA12CA1CA2CA7CA9
SCHEMBL27749559 0.80 CA5A (0.48) CA2MAPTKDM4EALDH1A1HPGD
SCHEMBL2961991 0.78 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL10315998 0.78 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL12640629 0.78 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL18677631 0.78 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7027788 0.78 TTR (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394241-B2 Composition and method for making oligo-benzamide compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-07-19 US disclosed
US-20140127285-A1 Composition and Method for Making Oligo-Benzamide Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-05-08 US disclosed
US-8618324-B2 Composition and method for making oligo-benzamide compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-12-31 US disclosed
US-20130011465-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2013-01-10 US disclosed
US-8236983-B2 Composition and method for the treatment of diseases affected by apoptosis BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-08-07 US disclosed
US-20100317570-A1 Composition and Method for the Treatment of Diseases Affected by a Peptide Receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-12-16 US disclosed
US-7816324-B2 Composition and method for the treatment of diseases affected by a peptide receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-19 US disclosed
WO-2010083215-A2 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-07-22 WO disclosed
US-20100178324-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS Board of Regents, The University System (US) 2010-07-15 US disclosed
US-20090012141-A1 Composition and Method for Making Oligo-Benzamide Compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-08 US disclosed
US-20080300193-A1 Composition and Method for the Treatment of Diseases Affected by a Peptide Receptor BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-12-04 US disclosed
WO-2008112939-A2 COMPOSITION AND METHOD FOR MAKING OLIGO-BENZAMIDE COMPOUNDS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-09-18 WO disclosed
WO-2008112941-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY A PEPTIDE RECEPTOR BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM (US) 2008-09-18 WO disclosed
WO-2008112938-A2 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY A PEPTIDE RECEPTOR NEW ENGLAND MEDICAL CENTER HOSPITALS, INC. (US) 2008-09-18 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-20140127285-A1 Composition and Method for Making Oligo-Benzamide Compounds OTC, ODC1, MOGAT2 CA12 2411/4885CA1 3759/4885CA2 2968/4885
US-20100317570-A1 Composition and Method for the Treatment of Diseases Affected by a Peptide Receptor GPR119, INSR, GLP1R CA12 2775/4885CA1 4313/4885CA2 3011/4885
US-20090012141-A1 Composition and Method for Making Oligo-Benzamide Compounds OTC, ODC1, MOGAT2 CA12 2411/4885CA1 3759/4885CA2 2968/4885
US-20080300193-A1 Composition and Method for the Treatment of Diseases Affected by a Peptide Receptor GPR119, INSR, GLP1R CA12 2775/4885CA1 4313/4885CA2 3011/4885
US-20100178324-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS BAX, BAD, BID CA12 1517/4885CA1 1545/4885CA2 2825/4885
US-20130011465-A1 COMPOSITION AND METHOD FOR THE TREATMENT OF DISEASES AFFECTED BY APOPTOSIS BAX, BAD, BID CA12 1517/4885CA1 1545/4885CA2 2825/4885

“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.