SCHEMBL5093365

SCHEMBL5093365

COc1cccc(-c2nc(CC(C(=O)O)c3cccc4ccccc34)[nH]c2-c2cccc(OC)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
SERPINE1 P05121 1/20 0.43
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
F2 P00734 1/20 0.41
ADORA2A P29274 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
MEN1 O00255 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5093239 0.86 MAPT (0.42) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL5099932 0.79 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL5094451 0.73 KMT2A (0.37) KMT2AALDH1A1MEN1CTSANPSR1
SCHEMBL5091262 0.70 TEK (0.40) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL5089047 0.69 CCKAR (0.51) HPGDKMT2AALDH1A1AKR1C3AKR1C2
SCHEMBL11212515 0.68 MAPK13 (0.76) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL5093419 0.68 CCKAR (0.51) HPGDKMT2AALDH1A1AKR1C3AKR1C2
SCHEMBL5093279 0.67 CCKAR (0.51) HPGDKMT2AALDH1A1MEN1KDM4E
SCHEMBL3454813 0.67 MAPK14 (0.71) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL5093271 0.67 CCKAR (0.49) HPGDKMT2AALDH1A1MEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US claimed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US claimed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US claimed
US-20050197377-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-09-08 US claimed
WO-2005063716-A1 IMIDAZOLES AND THEIR USE CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-14 WO claimed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-7456208-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BG) 2008-11-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-20070249698-A1 CCK-1 Receptor Modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 US disclosed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US disclosed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US disclosed
US-7250434-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-31 US disclosed
US-20050197377-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-09-08 US disclosed
WO-2005063716-A1 IMIDAZOLES AND THEIR USE CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-14 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-20050197377-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR MAPK14 998/4885MAPK13 642/4885RAF1 1166/4885
US-20070249698-A1 CCK-1 Receptor Modulators CCKAR, CCKBR, GIPR MAPK14 998/4885MAPK13 642/4885RAF1 1166/4885

“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.