SCHEMBL5236090

SCHEMBL5236090

CC1CCC(C(=O)N(c2nn(-c3ccc(C(F)(F)F)cc3)cc2C(=O)O)C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.36
TRPA1 O75762 8/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.35
NOTUM Q6P988 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
S1PR1 P21453 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL5231918 1.00 AADAT (0.36) AADATTRPA1PTGDR2NOTUMADORA3
SCHEMBL5228887 0.90 PTGDR2 (0.34) PTGDR2KMT2A
SCHEMBL5228891 0.90 PTGDR2 (0.34) PTGDR2KMT2A
SCHEMBL5234272 0.89 CA12 (0.34) TRPA1KMT2A
SCHEMBL5234263 0.89 CA12 (0.34) TRPA1KMT2A
SCHEMBL5230306 0.89 KMT2A (0.40) AADATPTGDR2NOTUMADORA3KMT2A
SCHEMBL5230291 0.89 KMT2A (0.40) AADATPTGDR2NOTUMADORA3KMT2A
SCHEMBL5233096 0.88 CA12 (0.33) KMT2A
SCHEMBL5233595 0.88 ALDH1A1 (0.36) ADORA3KMT2A
SCHEMBL5233118 0.88 CA12 (0.33) KMT2A

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 AADAT 3660/4885TRPA1 4271/4885PTGDR2 4316/4885

“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.