SCHEMBL670524

SCHEMBL670524

Cc1cc(C=O)cc2c1OCC2(C)C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.40
PTGS1 P23219 14/20 0.40
ALOX5 P09917 8/20 0.40
SRC P12931 1/20 0.34
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
ALDH1A3 P47895 1/20 0.33

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
SCHEMBL25188734 0.81 PTGS2 (0.39) PTGS2PTGS1ALOX5ALDH1A1RARA
SCHEMBL5657768 0.81 PTGS2 (0.39) PTGS2PTGS1ALOX5NOTUMRARA
SCHEMBL15947273 0.81 PTGS2 (0.39) PTGS2PTGS1ALOX5NOTUMRARA
SCHEMBL6593328 0.79 PTGS2 (0.62) PTGS2PTGS1ALOX5
SCHEMBL5785095 0.79 ALDH1A1 (0.42) PTGS2PTGS1ALOX5ALDH1A1TDP1
SCHEMBL30287207 0.75 PTGS1 (0.36) PTGS2PTGS1ALOX5NOTUMALDH1A1
SCHEMBL672713 0.73 PTGS2 (0.35) PTGS2PTGS1ALOX5NOTUMALDH1A1
SCHEMBL7571234 0.73 PTGS2 (0.35) PTGS2PTGS1ALOX5NOTUM
SCHEMBL1390674 0.72 RARB (0.53) PTGS2PTGS1ALOX5NOTUMALDH1A1
SCHEMBL6158663 0.71 RXRA (0.32) PTGS2PTGS1ALOX5RARARARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
EP-2605658-B1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME (US) 2016-03-23 EP disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
US-8742110-B2 Spiroxazolidinone compounds MERCK SHARP & DOHME CORP. (US) 2014-06-03 US disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
US-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2013-05-23 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 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 (1 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-20130131042-A1 SPIROXAZOLIDINONE COMPOUNDS SSTR5, SSTR2, SSTR4 PTGS2 2072/4885PTGS1 3116/4885ALOX5 679/4885

“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.