SCHEMBL5230306

SCHEMBL5230306

CC1CCC(C(=O)N(c2nn(-c3cccc(C(F)(F)F)c3)cc2C(=O)O)C(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
AADAT Q8N5Z0 1/20 0.40
NOTUM Q6P988 3/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
POLB P06746 3/20 0.37
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
EPHX2 P34913 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ESRRA P11474 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL5230291 1.00 KMT2A (0.40) KMT2AAADATNOTUMMEN1NPC1
SCHEMBL5228887 0.91 PTGDR2 (0.34) KMT2ARXFP1PTGDR2
SCHEMBL5228891 0.91 PTGDR2 (0.34) KMT2ARXFP1PTGDR2
SCHEMBL5236090 0.89 AADAT (0.36) KMT2AAADATNOTUMADORA3PTGDR2
SCHEMBL5231918 0.89 AADAT (0.36) KMT2AAADATNOTUMADORA3PTGDR2
SCHEMBL5229752 0.88 NPSR1 (0.40) KMT2AAADATNPC1POLBALDH1A1
SCHEMBL5229742 0.88 NPSR1 (0.40) KMT2AAADATNPC1POLBALDH1A1
SCHEMBL5228900 0.88 NOTUM (0.36) KMT2ANOTUMMEN1NPC1ADORA3
SCHEMBL5228892 0.88 NOTUM (0.36) KMT2ANOTUMMEN1NPC1ADORA3
SCHEMBL5232501 0.88 NOTUM (0.41) NOTUM

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 KMT2A 4445/4885AADAT 3660/4885NOTUM 2353/4885

“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.