SCHEMBL539770

SCHEMBL539770

COC(=O)[C@H](Cc1ccc(-c2ccc(C(N)=O)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.55
▸ CTSK P43235 6/20 0.55
▸ KLK5 Q9Y337 1/20 0.52
▸ CTSB P07858 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ BCL2 P10415 1/20 0.46
▸ ITGA4 P13612 1/20 0.46
▸ ITGB7 P26010 1/20 0.46
▸ HDAC1 Q13547 4/20 0.46
▸ HDAC6 Q9UBN7 4/20 0.46
▸ LNPEP Q9UIQ6 1/20 0.46
▸ ITGB3 P05106 2/20 0.45
▸ ITGA2B P08514 2/20 0.45
▸ ACE P12821 1/20 0.45
▸ ITGB1 P05556 1/20 0.45
▸ ITGAV P06756 1/20 0.45
▸ ITGB5 P18084 1/20 0.45
▸ PPARG P37231 2/20 0.44
▸ PPARA Q07869 2/20 0.44
▸ PPARD Q03181 1/20 0.44

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
SCHEMBL539771 1.00 CTSS (0.55) CTSSCTSKKLK5CTSBCTSL
SCHEMBL12029006 0.96 KLK5 (0.55) CTSSCTSKKLK5CTSBCTSL
SCHEMBL18067866 0.96 KLK5 (0.55) CTSSCTSKKLK5CTSBCTSL
SCHEMBL1826655 0.89 CTSS (0.56) CTSSCTSKKLK5CTSBCTSL
SCHEMBL1826757 0.88 CTSS (0.69) CTSSCTSKKLK5CTSBCTSL
SCHEMBL2802961 0.88 CTSS (0.69) CTSSCTSKKLK5CTSBCTSL
SCHEMBL10033679 0.88 CTSS (0.69) CTSSCTSKKLK5CTSBCTSL
SCHEMBL1822923 0.86 CTSS (0.58) CTSSCTSKKLK5CTSBCTSL
SCHEMBL21683121 0.85 ACE (0.60) CTSSCTSKCTSBCTSLITGA4
SCHEMBL2792410 0.85 KLK5 (0.58) CTSSCTSKKLK5CTSBCTSL

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-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 — — US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 — — EP disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 — — US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 — — US disclosed
US-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-04-18 — — US disclosed
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 — — US disclosed
EP-2413693-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-02-08 — — EP disclosed
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-06-30 — — US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 — — 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 (3 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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 CTSS 4434/4885CTSK 4202/4885KLK5 734/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 CTSS 4434/4885CTSK 4202/4885KLK5 734/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 CTSS 4204/4885CTSK 3733/4885KLK5 1052/4885

“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.

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