SCHEMBL1461002

SCHEMBL1461002

CCN1N=C(C(F)(F)F)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.37
THRB P10828 3/20 0.37
KDM4E B2RXH2 2/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
LOX P28300 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL1009003 0.74 L3MBTL1 (0.67) GAATHRBKDM4ERECQLL3MBTL1
SCHEMBL310102 0.71
SCHEMBL14208206 0.71 KDM4E (0.42) GAATHRBKDM4ERECQLL3MBTL1
SCHEMBL12194202 0.69
SCHEMBL21997178 0.67 GAA (0.38) GAATHRBALDH1A1MAPTTDP1
SCHEMBL14232086 0.67 GAA (0.41) GAATHRBALDH1A1MAPTTDP1
SCHEMBL7400810 0.66 ALDH1A1 (0.36) GAATHRBKDM4ERECQLL3MBTL1
SCHEMBL6735093 0.63 RECQL (0.35) RECQLL3MBTL1
SCHEMBL11205163 0.61 ALDH1A1 (0.51) GAATHRBKDM4ERECQLL3MBTL1
SCHEMBL29892531 0.61 ALDH1A1 (0.34) GAATHRBKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013092463-A1 4-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092444-A1 DIAZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
WO-2013092467-A1 7-AZAINDOLE INHIBITORS OF CRAC F. HOFFMANN-LA ROCHE AG (CH) 2013-06-27 WO disclosed
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC HOFFMANN-LA ROCHE INC. (US) 2013-06-20 US disclosed
WO-2013050341-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090334-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS Hoffmann-La Roche Inc (US) 2013-04-11 US disclosed
WO-2013050270-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-04-11 WO disclosed
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS HOFFMANN-LA ROCHE INC. (US) 2013-04-11 US disclosed
US-20120308588-A1 NEPRILYSIN INHIBITORS THERAVANCE, INC. (US) 2012-12-06 US disclosed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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 (7 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E GAA 3955/4885THRB 351/4885KDM4E 2583/4885
US-20130158040-A1 DIAZAINDOLE INHIBITORS OF CRAC ORAI2, ORAI1, RYR2 GAA 1908/4885THRB 2079/4885KDM4E 3338/4885
US-20120308588-A1 NEPRILYSIN INHIBITORS MME, REN, ACE GAA 158/4885THRB 2031/4885KDM4E 2357/4885
US-20130158066-A1 4-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 GAA 3122/4885THRB 1868/4885KDM4E 1365/4885
US-20130090333-A1 BENZOXAZINE DERIVATIVES AS CRAC MODULATORS RYR2, CACNA1E, RYR1 GAA 1085/4885THRB 716/4885KDM4E 2904/4885
US-20130090334-A1 AZABENZOXAZINE DERIVATIVES AS CRAC MODULATORS ORAI1, CACNA1E, RYR2 GAA 1973/4885THRB 554/4885KDM4E 1369/4885
US-20130158049-A1 7-AZAINDOLE INHIBITORS OF CRAC ORAI1, CACNA1I, RYR2 GAA 2667/4885THRB 2019/4885KDM4E 2050/4885

“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.