SCHEMBL3676510

SCHEMBL3676510

COC(=O)c1cc(O)c(NC(=O)OC(C)(C)C)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.46
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA9 Q16790 3/20 0.42
CA7 P43166 2/20 0.42
CA14 Q9ULX7 2/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
AGER Q15109 1/20 0.36
MYC P01106 1/20 0.36
PTGS2 P35354 1/20 0.36
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35

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
SCHEMBL21155118 0.84 ATR (0.43) ATRCA12CA1CA2CA9
SCHEMBL24162849 0.81 ATR (0.43) ATRCA12CA1CA2CA9
SCHEMBL1082793 0.79 CA12 (0.54) ATRCA12CA1CA2CA9
SCHEMBL11226680 0.78 MAPT (0.40) ATRCA12CA1CA2CA9
SCHEMBL30339006 0.78 ACHE (0.53) ATRCA12CA1CA2CA9
SCHEMBL14862238 0.78 ACHE (0.53) ATRCA12CA1CA2CA9
SCHEMBL2934675 0.78 CA12 (0.54) ATRCA12CA1CA2CA9
SCHEMBL3677780 0.78 XDH (0.54) ATRCA12CA1CA2CA9
SCHEMBL9081119 0.78 SMN1; SMN2 (0.66) ATRCA12CA1CA2CA9
SCHEMBL27828990 0.78 GAA (0.46) CA12CA1CA9SMN1; SMN2GAA

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
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-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
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-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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 ATR 1949/4885CA12 2411/4885CA1 3759/4885
US-20100317570-A1 Composition and Method for the Treatment of Diseases Affected by a Peptide Receptor GPR119, INSR, GLP1R ATR 4510/4885CA12 2775/4885CA1 4313/4885
US-20090012141-A1 Composition and Method for Making Oligo-Benzamide Compounds OTC, ODC1, MOGAT2 ATR 1949/4885CA12 2411/4885CA1 3759/4885
US-20080300193-A1 Composition and Method for the Treatment of Diseases Affected by a Peptide Receptor GPR119, INSR, GLP1R ATR 4510/4885CA12 2775/4885CA1 4313/4885

“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.