SCHEMBL671614

SCHEMBL671614

CC(C)n1cc(C=O)c2c(-c3ccc(F)cn3)cccc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
BTK Q06187 1/20 0.31
TGFBR1 P36897 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
P2RX7 Q99572 1/20 0.30
TGFBR2 P37173 1/20 0.30

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
SCHEMBL672431 0.82 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL670862 0.79 CYP3A4 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2ADORA2A
SCHEMBL14957551 0.78 MEN1 (0.37) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL14957743 0.77 NFATC1 (0.37) MEN1KMT2A
SCHEMBL671036 0.76 MEN1 (0.33) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL672434 0.75 SSTR5 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL14957219 0.72 AKR1C3 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL672866 0.70 CYP2A6 (0.41) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL2599763 0.66 SSTR5 (0.39) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30227732 0.65 MET (0.49)

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
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

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 ALDH1A1 1467/4885BTK 2897/4885TGFBR1 754/4885

“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.