SCHEMBL5230826

SCHEMBL5230826

C[C@H]1CC[C@H](C(=O)N(c2nn(-c3ccccc3)cc2C(=O)O)C2CCNCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATM Q13315 1/20 0.36
PARP1 P09874 2/20 0.35
KHK P50053 2/20 0.35
LMNA P02545 1/20 0.34
KCNH2 Q12809 1/20 0.33
UCHL1 P09936 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
SCHEMBL5230831 1.00 CACNA2D1 (0.42) CACNA2D1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5233487 0.91 ALDH1A1 (0.38) CACNA2D1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5233491 0.91 ALDH1A1 (0.38) CACNA2D1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5231854 0.88 NPSR1 (0.44) CACNA2D1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5231863 0.88 NPSR1 (0.44) CACNA2D1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5238433 0.88 CACNA2D1 (0.43) CACNA2D1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5237888 0.88 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5237029 0.88 CACNA2D1 (0.43) CACNA2D1L3MBTL1ALDH1A1KDM4EHPGD
SCHEMBL5235776 0.88 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5237690 0.86 CACNA2D1 (0.41) CACNA2D1MEN1KMT2APARP1KHK

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
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 CACNA2D1 4812/4885L3MBTL1 2059/4885ALDH1A1 1138/4885

“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.