SCHEMBL3619084

SCHEMBL3619084

CCOc1ccc(C#Cc2ccsc2)c(C=O)c1O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
ERN1 O75460 7/20 0.34
GRM5 P41594 2/20 0.34
MAPK8 P45983 1/20 0.34
UBLCP1 Q8WVY7 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SIRT5 Q9NXA8 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
SCHEMBL3613151 0.84 PTGDR2 (0.40) ALDH1A1ERN1NPC1RAB9A
SCHEMBL3612866 0.81 ERN1 (0.44) ALDH1A1ERN1NPC1KDM4E
SCHEMBL3605022 0.78 ERN1 (0.50) ALDH1A1ERN1LMNANPC1RAB9A
SCHEMBL3611783 0.76 ERN1 (0.48) ALDH1A1ERN1LMNA
SCHEMBL28266855 0.71 ALDH1A1 (0.56) ALDH1A1ERN1LMNAKDM4E
SCHEMBL3599860 0.68 ERN1 (0.68) ALDH1A1ERN1LMNAKDM4E
SCHEMBL453334 0.68 ALDH1A1 (0.45) ALDH1A1ERN1LMNAKDM4E
SCHEMBL3601607 0.66 ERN1 (0.76) ALDH1A1ERN1NPC1RAB9AKDM4E
SCHEMBL18374938 0.65 LMNA (0.52) ALDH1A1LMNANPC1RAB9AKDM4E
SCHEMBL30423780 0.65 NPC1 (0.43) GRM5UBLCP1NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US claimed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP claimed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO claimed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 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-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP ALDH1A1 3764/4885ERN1 2349/4885GRM5 995/4885

“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.