SCHEMBL6177984

SCHEMBL6177984

O=C(O)CC(Cc1ccc(O)cc1)c1nc2ccccc2s1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.75
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GLO1 Q04760 1/20 0.46
HPGD P15428 5/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 1/20 0.43
APEX1 P27695 1/20 0.43
ALOX5 P09917 1/20 0.41

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
SCHEMBL6177774 0.86 PKM (0.77) PKMNPC1RAB9AALDH1A1MAPT
SCHEMBL28745032 0.84 PKM (0.61) PKMNPC1RAB9AALDH1A1KDM4E
SCHEMBL9316764 0.80 PKM (0.61) PKMALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL27535477 0.74 PKM (0.63) PKMNPC1RAB9AALDH1A1LMNA
SCHEMBL6912351 0.74 PKM (0.54) PKMNPC1RAB9AALDH1A1HPGD
SCHEMBL11243380 0.74 PKM (0.54) PKMNPC1RAB9AALDH1A1HPGD
SCHEMBL2856934 0.74 HPGD (0.56) PKMNPC1RAB9AALDH1A1GAA
SCHEMBL15149247 0.74 LOXL2 (0.63) PKMNPC1RAB9AALDH1A1HPGD
SCHEMBL6178799 0.73 GABBR2 (0.56) KDM4EMAPTMIF
SCHEMBL6177284 0.73 GABBR2 (0.56) KDM4EMAPTMIF

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-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR PKM 4524/4885NPC1 1297/4885RAB9A 2387/4885

“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.