SCHEMBL670581

SCHEMBL670581

COC(=O)c1cc(Br)c(OC(F)(F)F)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.55
PDK2 Q15119 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TPMT P51580 1/20 0.44
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
XDH P47989 1/20 0.43
GFER P55789 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
FUT7 Q11130 1/20 0.43

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
SCHEMBL24901671 0.80 NOTUM (0.49) NOTUMPDK2CA12CA1CA2
SCHEMBL3349066 0.80 TPMT (0.59) NOTUMCA12CA1CA2CA7
SCHEMBL31573434 0.79 NOTUM (0.63) NOTUMPDK2CA12CA1CA2
SCHEMBL4314290 0.79 NOTUM (0.63) NOTUMPDK2CA12CA1CA2
SCHEMBL475839 0.78 NOTUM (0.50) NOTUMCA12CA1CA2CA7
SCHEMBL1868624 0.78 NOTUM (0.64) NOTUMPDK2CA12CA1CA2
SCHEMBL31401414 0.78 NOTUM (0.64) NOTUMPDK2CA12CA1CA2
SCHEMBL29759239 0.76 TPMT (0.51) NOTUMCA12CA1CA2CA7
SCHEMBL1561433 0.76 TPMT (0.51) NOTUMCA12CA1CA2CA7
SCHEMBL2240748 0.76 NOTUM (0.59) NOTUMPDK2CA12CA1CA2

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 12 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
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
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
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 NOTUM 3628/4885PDK2 118/4885CA12 4077/4885
US-20130040978-A1 SPIRO ISOXAZOLINE COMPOUNDS AS SSTR5 ANTAGONISTS SSTR5, SSTR2, SSTR1 NOTUM 3196/4885PDK2 128/4885CA12 3960/4885

“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.