SCHEMBL5230768

SCHEMBL5230768

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.39
CA9 Q16790 5/20 0.39
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
POLB P06746 1/20 0.37
CHRM4 P08173 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL5230776 1.00 CA12 (0.39) CA12CA9SLC5A1SLC5A2POLB
SCHEMBL5230145 0.91 NPC1 (0.39) SLC5A1POLBNPC1NPSR1ALDH1A1
SCHEMBL5230149 0.91 NPC1 (0.39) SLC5A1POLBNPC1NPSR1ALDH1A1
SCHEMBL5235745 0.91 NPSR1 (0.38) CA12CA9POLBMAPTNPC1
SCHEMBL5235753 0.91 NPSR1 (0.38) CA12CA9POLBMAPTNPC1
SCHEMBL5232913 0.91 CA12 (0.48) CA12CA9MAPTNPC1RAB9A
SCHEMBL5232903 0.91 CA12 (0.48) CA12CA9MAPTNPC1RAB9A
SCHEMBL5228545 0.90 CHRM4 (0.39) CHRM4EPHX2
SCHEMBL5235380 0.90 NPC1 (0.46) CA12CA9SLC5A1SLC5A2POLB
SCHEMBL5235387 0.90 NPC1 (0.46) CA12CA9SLC5A1SLC5A2POLB

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 3715/4885SLC5A1 1380/4885

“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.