SCHEMBL5234263

SCHEMBL5234263

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
PPARA Q07869 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTT P42858 1/20 0.33
TRPA1 O75762 3/20 0.33
POLB P06746 1/20 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
SCHEMBL5234272 1.00 CA12 (0.34) CA12CA1CA2CA9KMT2A
SCHEMBL5233587 0.91 ALDH1A1 (0.36) CA12CA1CA2CA9KMT2A
SCHEMBL5233118 0.91 CA12 (0.33) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL5233595 0.91 ALDH1A1 (0.36) CA12CA1CA2CA9KMT2A
SCHEMBL5233096 0.91 CA12 (0.33) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL5230228 0.91 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1TSHRL3MBTL1
SCHEMBL5230218 0.91 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1TSHRL3MBTL1
SCHEMBL5232510 0.90 KMT2A (0.44) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL5234022 0.90 KMT2A (0.44) KMT2AMEN1ALDH1A1HTTPOLB
SCHEMBL5230254 0.90 KMT2A (0.44) KMT2AMEN1ALDH1A1HTTPOLB

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 7 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
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
US-20070167507-A1 4-Carbox pyrazole derivatives useful as anti-viral agents GLAXO GROUP LIMITED (GB) 2007-07-19 US 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 CA12 4270/4885CA1 4654/4885CA2 4345/4885

“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.