SCHEMBL5228979

SCHEMBL5228979

[c]1ccc(OCc2cscn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SLC6A3 Q01959 6/20 0.36
MAPT P10636 2/20 0.36
KCNH2 Q12809 1/20 0.35
PKM P14618 1/20 0.35
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NMT1 P30419 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 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
SCHEMBL4834177 0.79 MAOB (0.46) LTA4HALOX5HTTMAPTMMP13
SCHEMBL4088281 0.79 SLC6A3 (0.47) LTA4HALOX5ALDH1A1SLC6A3PKM
SCHEMBL8800604 0.75 ALDH1A1 (0.56) LTA4HALOX5ALDH1A1HPGDSLC6A3
SCHEMBL5237608 0.73 SLC6A3 (0.34) LTA4HALDH1A1SLC6A3MAPTKCNH2
SCHEMBL4825951 0.72 LMNA (0.61) MAPTRAB9AMEN1KMT2A
SCHEMBL7205558 0.71 KCNH2 (0.35) MAPTKCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL3098479 0.71 NPC1 (0.51) ALOX5HTTSLC6A3MAPTPKM
SCHEMBL1928819 0.70 ALOX5 (0.47) LTA4HALOX5ALDH1A1PKMNPC1
SCHEMBL7207747 0.69 KCNH2 (0.36) ALDH1A1HPGDMAPTKCNH2SMN1; SMN2
SCHEMBL864159 0.69 KDM4E (0.58) ALDH1A1HPGDKCNH2SMN1; SMN2

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 4 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 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 LTA4H 2389/4885ALOX5 1076/4885ALDH1A1 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.