SCHEMBL70873

SCHEMBL70873

COC(=O)c1c[nH]cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 7/20 0.50
NOTUM Q6P988 2/20 0.45
SOS1 Q07889 1/20 0.41
NR4A2 P43354 1/20 0.40
CREBBP Q92793 1/20 0.40
MAPT P10636 5/20 0.39
TSHR P16473 4/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
ADORA3 P0DMS8 3/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2C19 P33261 3/20 0.37
NFKB1 P19838 2/20 0.37
CACNA1C Q13936 2/20 0.37

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
SCHEMBL69740 0.80 NR4A2 (0.48) CFTRNR4A2CREBBPMAPTTSHR
SCHEMBL2185981 0.79 KDM4E (0.53) MAPTTSHRLMNAKDM4ECACNA1C
SCHEMBL15920408 0.79 CFTR (0.57) CFTRNOTUMSOS1MAPTTSHR
SCHEMBL4659258 0.78 GAA (0.40) CFTRLMNAKDM4EGAAPKM
SCHEMBL10428536 0.77 NOTUM (0.46) NOTUMKDM4ECYP1A2MEN1KMT2A
SCHEMBL20606230 0.77 CFTR (0.48) CFTRNOTUMNR4A2CREBBPMAPT
SCHEMBL45490 0.74 LMNA (0.59) CFTRNOTUMMAPTTSHRLMNA
SCHEMBL3563589 0.74 MAPT (0.55) CFTRNR4A2CREBBPMAPTTSHR
SCHEMBL24983697 0.73 CFTR (0.51) CFTRNOTUMSOS1MAPTTSHR
SCHEMBL4925877 0.73 CFTR (0.47) CFTRNOTUMSOS1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297110-B1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS MERCK SHARP & DOHME (NL) 2015-05-20 EP disclosed
EP-2297110-B1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS MERCK SHARP & DOHME (NL) 2015-05-20 EP disclosed
EP-2209791-B1 Heterocyclic derivatives MERCK SHARP & DOHME (NL) 2014-01-22 EP disclosed
EP-2209791-B1 Heterocyclic derivatives MERCK SHARP & DOHME (NL) 2014-01-22 EP disclosed
US-8536214-B2 Indane derivatives as AMPA receptor modulators N.V. ORGANON (NL) 2013-09-17 US disclosed
US-8536214-B2 Indane derivatives as AMPA receptor modulators N.V. ORGANON (NL) 2013-09-17 US disclosed
US-8536214-B2 Indane derivatives as AMPA receptor modulators N.V. ORGANON (NL) 2013-09-17 US disclosed
US-8129397-B2 Substituted thieno[2,3-d]pyrimidines as AMPA modulators MSD OSS B.V. (US) 2012-03-06 US disclosed
US-8129397-B2 Substituted thieno[2,3-d]pyrimidines as AMPA modulators MSD OSS B.V. (US) 2012-03-06 US disclosed
US-8129397-B2 Substituted thieno[2,3-d]pyrimidines as AMPA modulators MSD OSS B.V. (US) 2012-03-06 US disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 US disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 US disclosed
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2011-04-21 US disclosed
WO-2009147167-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS N.V. ORGANON (NL) 2009-12-10 WO disclosed
WO-2009062930-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-05-22 WO disclosed
US-20090131455-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON 2009-05-21 US disclosed
US-20090131455-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON 2009-05-21 US disclosed
US-20090131455-A1 HETEROCYCLIC DERIVATIVES N.V. ORGANON 2009-05-21 US 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-20090131455-A1 HETEROCYCLIC DERIVATIVES GRIN2C, GRIK5, GRIN1 CFTR 1904/4885NOTUM 1664/4885SOS1 1802/4885
US-20110092539-A1 INDANE DERIVATIVES AS AMPA RECEPTOR MODULATORS GRIK5, GRIN3A, GRIK2 CFTR 1251/4885NOTUM 1622/4885SOS1 2498/4885

“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.