SCHEMBL5229244

SCHEMBL5229244

CC(C)N(c1nn(-c2ccc(F)c(F)c2)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 1/20 0.32
PARP1 P09874 2/20 0.32
FAAH O00519 1/20 0.32
MGLL Q99685 1/20 0.32
GRIN2B Q13224 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CCR2 P41597 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
SCHEMBL5237866 1.00 KCNH2 (0.33) KCNH2ALDH1A1HTTTSHRPARP1
SCHEMBL5231144 0.93 NAMPT (0.35)
SCHEMBL5231139 0.93 NAMPT (0.35)
SCHEMBL5231518 0.92 NPC1 (0.33) KCNH2ALDH1A1PARP1
SCHEMBL5231513 0.92 NPC1 (0.33) KCNH2ALDH1A1PARP1
SCHEMBL5234314 0.90 GRIN2B (0.31) GRIN2B
SCHEMBL5234322 0.90 GRIN2B (0.31) GRIN2B
SCHEMBL5234272 0.89 CA12 (0.34) ALDH1A1HTTTSHRCA12CA9
SCHEMBL5234263 0.89 CA12 (0.34) ALDH1A1HTTTSHRCA12CA9
SCHEMBL5228900 0.88 NOTUM (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 6 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
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 KCNH2 3913/4885ALDH1A1 1138/4885HTT 2662/4885

“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.