SCHEMBL5236446

SCHEMBL5236446

CCOC(=O)c1cn(-c2ccc(NC(=O)c3ccccc3)cc2)nc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GLA P06280 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
AURKA O14965 2/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
KDM5B Q9UGL1 1/20 0.39
NPY2R P49146 1/20 0.39
MAPK1 P28482 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
SCHEMBL5236453 1.00 MAPT (0.46) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL5233765 0.98 MAPT (0.46) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL5652560 0.98 MAPT (0.46) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL5237816 0.93 MAPT (0.41) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL5235118 0.93 MAPT (0.41) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL5237808 0.93 MAPT (0.41) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL5235105 0.93 MAPT (0.41) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL5230325 0.92 MAPT (0.42) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL5230335 0.92 MAPT (0.42) MAPTKDM4EHPGDTP53SMN1; SMN2
SCHEMBL14409917 0.92 MAPT (0.40) MAPTKDM4EHPGDTP53SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
EP-1730116-B1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2007-09-05 EP disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US disclosed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 EP disclosed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 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 (1 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-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents HAVCR2, RPL35, ZC3HAV1L MAPT 4522/4885KDM4E 2215/4885HPGD 2212/4885

“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.