SCHEMBL670499

SCHEMBL670499

Cc1cc(Br)cc2c1OC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.38
AKT1 P31749 2/20 0.38
LMNA P02545 1/20 0.35
NR1I2 O75469 3/20 0.34
ALOX5 P09917 5/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
PKM P14618 1/20 0.33
DHFR P00374 1/20 0.33
NFE2L2 Q16236 1/20 0.32

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
SCHEMBL16316929 0.82 AKT1 (0.40) MALT1AKT1LMNANR1I2ALOX5
SCHEMBL670023 0.81 MALT1 (0.35) MALT1AKT1NFE2L2
SCHEMBL20819465 0.80 AKT1 (0.48) AKT1LMNANR1I2ALOX5PPARG
SCHEMBL20819467 0.80 AKT1 (0.48) AKT1LMNANR1I2ALOX5PPARG
SCHEMBL17269667 0.79 AKT1 (0.41) AKT1LMNANR1I2ALOX5PPARG
SCHEMBL2483669 0.79 AKT1 (0.57) AKT1LMNANR1I2ALOX5PPARG
SCHEMBL30439741 0.79 AKT1 (0.57) AKT1LMNANR1I2ALOX5PPARG
SCHEMBL13423100 0.79 MALT1 (0.36) MALT1AKT1LMNADHFRNFE2L2
SCHEMBL13423096 0.79 MALT1 (0.33) MALT1AKT1NFE2L2
SCHEMBL13423101 0.79 GABRA1 (0.38) MALT1AKT1NFE2L2

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
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
EP-2571356-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-27 EP disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP 2013-02-14 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
WO-2011146324-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-24 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 (2 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 MALT1 4399/4885AKT1 2011/4885LMNA 746/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 MALT1 4022/4885AKT1 1932/4885LMNA 1256/4885

“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.