SCHEMBL5233553

SCHEMBL5233553

CCc1ccc(-n2cc(C(=O)O)c(N(C(=O)C3CCC(C)CC3)C(C)C)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.35
ALDH1A1 P00352 4/20 0.33
NAMPT P43490 2/20 0.33
KDM5B Q9UGL1 2/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL5232336 1.00 S1PR1 (0.35) S1PR1ALDH1A1NAMPTKDM5BNPC1
SCHEMBL5232030 0.92 PARP1 (0.33) NAMPTKDM5BPARP1CA12CA9
SCHEMBL5232024 0.92 PARP1 (0.33) NAMPTKDM5BPARP1CA12CA9
SCHEMBL5228391 0.90 HPGD (0.35) ALDH1A1KDM5BSMN1; SMN2NPSR1PARP1
SCHEMBL5230337 0.90 HPGD (0.35) ALDH1A1KDM5BSMN1; SMN2NPSR1PARP1
SCHEMBL5238262 0.90 NPC1 (0.39) ALDH1A1NPC1GLANFKB1RAB9A
SCHEMBL5238271 0.90 NPC1 (0.39) ALDH1A1NPC1GLANFKB1RAB9A
SCHEMBL5233595 0.89 ALDH1A1 (0.36) ALDH1A1KDM5BNPC1GLANFKB1
SCHEMBL5233118 0.89 CA12 (0.33) ALDH1A1KDM5BSMN1; SMN2PARP1L3MBTL1
SCHEMBL5233096 0.89 CA12 (0.33) ALDH1A1KDM5BSMN1; SMN2PARP1L3MBTL1

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 8 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 claimed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US claimed
EP-1730116-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2006-12-13 EP claimed
WO-2005092863-A1 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-10-06 WO claimed
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 S1PR1 3237/4885ALDH1A1 1138/4885NAMPT 2594/4885

“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.