SCHEMBL5230783

SCHEMBL5230783

CCOC(=O)c1cn(-c2ccc(/C=C/c3csc(C)n3)cc2)nc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.33
MAPK1 P28482 2/20 0.33
CA12 O43570 5/20 0.33
CA9 Q16790 5/20 0.33
ALDH1A1 P00352 6/20 0.33
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GLA P06280 2/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 3/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HPGD P15428 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL14459847 1.00 NPSR1 (0.33) NPSR1MAPK1CA12CA9ALDH1A1
SCHEMBL5230791 1.00 NPSR1 (0.33) NPSR1MAPK1CA12CA9ALDH1A1
SCHEMBL5230308 0.90 GRM5 (0.30)
SCHEMBL5230289 0.90 GRM5 (0.30)
SCHEMBL14459843 0.90 NPSR1 (0.33) NPSR1MAPK1CA12CA9ALDH1A1
SCHEMBL5233424 0.90 NPSR1 (0.33) NPSR1MAPK1CA12CA9ALDH1A1
SCHEMBL5233434 0.90 NPSR1 (0.33) NPSR1MAPK1CA12CA9ALDH1A1
SCHEMBL5230314 0.88 NPC1 (0.42) NPSR1MAPK1CA12CA9ALDH1A1
SCHEMBL5232198 0.88 NPC1 (0.42) NPSR1MAPK1CA12CA9ALDH1A1
SCHEMBL14459836 0.88 NPC1 (0.42) NPSR1MAPK1CA12CA9ALDH1A1

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 NPSR1 3202/4885MAPK1 3485/4885CA12 4270/4885

“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.