SCHEMBL6350971

SCHEMBL6350971

CC(C)(C)c1cc(C(C)(C)C)n(C(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 4/20 0.52
ALPL P05186 4/20 0.52
XIAP P98170 4/20 0.52
ELANE P08246 3/20 0.49
ENPP1 P22413 2/20 0.49
MAPT P10636 3/20 0.45
MAPK13 O15264 2/20 0.45
MAPK12 P53778 2/20 0.45
MAPK11 Q15759 2/20 0.45
MAPK14 Q16539 2/20 0.45
TP53 P04637 1/20 0.43
F2 P00734 3/20 0.42
PLAU P00749 2/20 0.42
KLKB1 P03952 1/20 0.42
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F12 P00748 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6054028 0.82 ENPP3 (0.43) ENPP3ALPLXIAPELANEPLAU
SCHEMBL6340449 0.82 ENPP3 (0.49) ENPP3ALPLXIAPELANEENPP1
SCHEMBL2060008 0.74 GRN (0.49) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL12298697 0.70 PRKCZ (0.55) MAPK13MAPK12MAPK11MAPK14CNR2
SCHEMBL9479546 0.67 ENPP3 (0.45) ENPP3ALPLXIAPELANEENPP1
SCHEMBL7744788 0.66 GRN (0.67) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL11257725 0.63 GRN (0.40) MAPTMAPK13MAPK12MAPK11MAPK14
SCHEMBL14314274 0.60 PRKCZ (0.55) MAPK13MAPK12MAPK11MAPK14POLB
SCHEMBL17187854 0.60 CES2 (0.54) ELANEMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL198250 0.60 CES2 (0.54) ELANEMAPTALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050096372-A1 Small-molecule modulators of hepatocyte growth factor/scatter factor activities PILLARISETTI SIVARAM (US) 2005-05-05 US disclosed
US-6855728-B2 Small-molecule modulators of hepatocyte growth factor / scatter factor activities NORTH SHORE-LONG ISLAND JEWISH HEALTH SYSTEM (US) 2005-02-15 US disclosed
US-20030216459-A1 Small-molecule modulators of hepatocyte growth factor / scatter factor activities THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2003-11-20 US disclosed
EP-1355921-A2 MODULATORS OF CELLULAR PROLIFERATION AND ANGIOGENESIS, METHODS FOR USE AND IDENTIFICATION THEREOF North Shore-Long Island Jewish Health System (US) 2003-10-29 EP disclosed
WO-2002002593-A2 MODULATORS OF CELLULAR PROLIFERATION AND ANGIOGENESIS, METHODS FOR USE AND IDENTIFICATION THEREOF NORTH SHORE-LONG ISLAND JEWISH HEALTH SYSTEM (US) 2002-01-10 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-20030216459-A1 Small-molecule modulators of hepatocyte growth factor / scatter factor activities HGF, HDGF, MET ENPP3 4055/4885ALPL 997/4885XIAP 1625/4885
US-20050096372-A1 Small-molecule modulators of hepatocyte growth factor/scatter factor activities HGF, HDGF, MET ENPP3 4055/4885ALPL 997/4885XIAP 1625/4885

“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.