SCHEMBL5230218

SCHEMBL5230218

CC(C)N(c1nn(-c2ccccc2)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
POLB P06746 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
MEN1 O00255 2/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.38
KDM5B Q9UGL1 2/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 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
SCHEMBL5230228 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL5230395 0.94 L3MBTL1 (0.38) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL5230390 0.94 L3MBTL1 (0.38) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL5233595 0.92 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1KDM5B
SCHEMBL5233587 0.92 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2KMT2AMEN1KDM5B
SCHEMBL5233118 0.92 CA12 (0.33) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL5233096 0.92 CA12 (0.33) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL5228434 0.91 MEN1 (0.34) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL5233420 0.91 PTPN1 (0.33) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10
SCHEMBL5232327 0.91 PTPN1 (0.33) ALDH1A1KDM4EL3MBTL1HPGDHSD17B10

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 ALDH1A1 1138/4885KDM4E 2215/4885L3MBTL1 2059/4885

“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.