SCHEMBL5232913

SCHEMBL5232913

CCOC(=O)c1cn(-c2ccc(OC)cc2)nc1N(C(=O)C1CCC(C)CC1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
PDE4D Q08499 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
P2RX3 P56373 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5232903 1.00 CA12 (0.48) CA12CA9PDE4DTP53SMN1; SMN2
SCHEMBL5652329 0.92 RAB9A (0.46) CA12CA9SMN1; SMN2NPSR1NPC1
SCHEMBL5652334 0.92 RAB9A (0.46) CA12CA9SMN1; SMN2NPSR1NPC1
SCHEMBL5238271 0.91 NPC1 (0.39) CA12CA9SMN1; SMN2NPSR1NPC1
SCHEMBL5232099 0.91 NPC1 (0.39) CA12CA9SMN1; SMN2NPSR1NPC1
SCHEMBL5232093 0.91 NPC1 (0.39) CA12CA9SMN1; SMN2NPSR1NPC1
SCHEMBL5238262 0.91 NPC1 (0.39) CA12CA9SMN1; SMN2NPSR1NPC1
SCHEMBL5234894 0.91 ALDH1A1 (0.41) CA12CA9TP53SMN1; SMN2NPSR1
SCHEMBL5230768 0.91 CA12 (0.39) CA12CA9SMN1; SMN2NPSR1NPC1
SCHEMBL5234903 0.91 ALDH1A1 (0.41) CA12CA9TP53SMN1; SMN2NPSR1

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 4 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
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 CA12 4270/4885CA9 3715/4885PDE4D 4008/4885

“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.