SCHEMBL539769

SCHEMBL539769

Cc1oc(C(C)C)nc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA3 P42263 1/20 0.33
PPARG P37231 4/20 0.32
PPARA Q07869 4/20 0.32
BMP1 P13497 2/20 0.32
COPS5 Q92905 1/20 0.32
EDNRA P25101 1/20 0.32
C3AR1 Q16581 1/20 0.31

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
SCHEMBL6506484 0.79 NPSR1 (0.47) SMN1; SMN2BMP1
SCHEMBL287238 0.74 ALDH1A1 (0.33) SMN1; SMN2GRIA1GRIA3
SCHEMBL19913372 0.73 SMN1; SMN2 (0.35) SMN1; SMN2C3AR1
Hydrochloric Acid SCHEMBL19119222 0.72 PDE4B (0.33) SMN1; SMN2GRIA1GRIA3
SCHEMBL1167295 0.72 NR4A2 (0.45) SMN1; SMN2
SCHEMBL1027753 0.71 ALDH1A1 (0.39) SMN1; SMN2GRIA1GRIA3
SCHEMBL13341691 0.71 TARBP2 (0.34) SMN1; SMN2GRIA1GRIA3
SCHEMBL28775950 0.71 FBP1 (0.51) GRIA1GRIA3
SCHEMBL2600750 0.69 SMN1; SMN2 (0.36) SMN1; SMN2
SCHEMBL9917050 0.68 HCAR2 (0.39) GRIA1GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357134-A1 AGENTS FOR USE IN THE TREATMENT OF AMYLOIDOSIS UCL BUSINESS LTD (GB) 2023-11-09 US disclosed
US-20230357134-A1 AGENTS FOR USE IN THE TREATMENT OF AMYLOIDOSIS UCL BUSINESS LTD (GB) 2023-11-09 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 US disclosed
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
CN-102378574-B Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA INC 2013-11-20 CN 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
CN-102378574-A Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA INC 2012-03-14 CN 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 (5 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 SMN1; SMN2 3375/4885GRIA1 906/4885GRIA3 1483/4885
US-20110160198-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF GLP1R, GIPR, GPR119 SMN1; SMN2 3375/4885GRIA1 906/4885GRIA3 1483/4885
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 SMN1; SMN2 4014/4885GRIA1 2200/4885GRIA3 2184/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 SMN1; SMN2 4000/4885GRIA1 970/4885GRIA3 2121/4885
US-20230357134-A1 AGENTS FOR USE IN THE TREATMENT OF AMYLOIDOSIS TTR, C1R, APOB SMN1; SMN2 1033/4885GRIA1 4216/4885GRIA3 4442/4885

“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.