SCHEMBL5228545

SCHEMBL5228545

CC(C)N(c1nn(-c2ccc(OC(F)(F)F)cc2)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.39
EPHX2 P34913 2/20 0.37
PDE5A O76074 1/20 0.35
LIPE Q05469 2/20 0.35
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDH1 O75874 7/20 0.33

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
SCHEMBL5228551 1.00 CHRM4 (0.39) CHRM4EPHX2PDE5ALIPEGCGR
SCHEMBL5232493 0.90 NOTUM (0.41) CHRM4
SCHEMBL5232501 0.90 NOTUM (0.41) CHRM4
SCHEMBL5230776 0.90 CA12 (0.39) CHRM4EPHX2
SCHEMBL5230768 0.90 CA12 (0.39) CHRM4EPHX2
SCHEMBL5232128 0.89 L3MBTL1 (0.44) ATML3MBTL1
SCHEMBL5232134 0.89 L3MBTL1 (0.44) ATML3MBTL1
SCHEMBL5236342 0.88 CHRM4 (0.38) CHRM4EPHX2LIPEGCGRGIPR
SCHEMBL5231918 0.88 AADAT (0.36)
SCHEMBL5236090 0.88 AADAT (0.36)

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 CHRM4 3250/4885EPHX2 2797/4885PDE5A 2934/4885

“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.