SCHEMBL5232272

SCHEMBL5232272

CC(C)N(c1nn(-c2ccc(/C=C/c3ccccn3)cc2)cc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.34
KMT2A Q03164 2/20 0.32
OPRM1 P35372 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
RAB9A P51151 3/20 0.31
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
SLC7A11 Q9UPY5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
LMNA P02545 1/20 0.31
KDR P35968 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
SCHEMBL5232278 1.00 NR1H4 (0.34) NR1H4KMT2AOPRM1TSHRSMN1; SMN2
SCHEMBL5233420 0.92 PTPN1 (0.33) KMT2ATSHRSMN1; SMN2KDM4EMAPT
SCHEMBL5232327 0.92 PTPN1 (0.33) KMT2ATSHRSMN1; SMN2KDM4EMAPT
SCHEMBL5232331 0.92 PTPN1 (0.33) KMT2ATSHRSMN1; SMN2KDM4EMAPT
SCHEMBL5233124 0.89 NPSR1 (0.37) NR1H4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL5233131 0.89 NPSR1 (0.37) NR1H4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL14459844 0.89 NPSR1 (0.37) NR1H4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL5234567 0.89 NR1H4 (0.35) NR1H4KMT2AOPRM1TSHRRAB9A
SCHEMBL5232355 0.87
SCHEMBL5232365 0.87

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 9 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
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 NR1H4 349/4885KMT2A 4445/4885OPRM1 725/4885

“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.