SCHEMBL5230838

SCHEMBL5230838

CC1CCC(C(=O)N(c2nn(-c3ccc4[nH]ccc4c3)cc2C(=O)O)C(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
NAMPT P43490 1/20 0.33
LTA4H P09960 1/20 0.33
PTGS2 P35354 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
MELK Q14680 1/20 0.31
KDM5A P29375 1/20 0.31
CCR10 P46092 1/20 0.31
FASN P49327 1/20 0.31
VCP P55072 1/20 0.30
PTPRC P08575 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 1/20 0.30
PTPRB P23467 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
SCHEMBL5230832 1.00 ABL1 (0.34) ABL1NAMPTLTA4HPTGS2SLC6A2
SCHEMBL5236517 0.95 KDM4E (0.33) LTA4HKDM5ACCR10FASNPTPRC
SCHEMBL5235152 0.95 KDM4E (0.33) LTA4HKDM5ACCR10FASNPTPRC
SCHEMBL5232116 0.88 KDR (0.41) NAMPT
SCHEMBL5232109 0.88 KDR (0.41) NAMPT
SCHEMBL5233338 0.88 LTA4H (0.34) ABL1NAMPTLTA4HPTGS2SLC6A2
SCHEMBL5235163 0.83 HTR7 (0.32) LTA4H
SCHEMBL5237866 0.83 KCNH2 (0.33)
SCHEMBL5229244 0.83 KCNH2 (0.33)
SCHEMBL5233096 0.82 CA12 (0.33)

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 claimed
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US 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

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 ABL1 808/4885NAMPT 2594/4885LTA4H 2389/4885

“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.