SCHEMBL3601607

SCHEMBL3601607

CCOc1ccc(-c2cccs2)c(C=O)c1O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 8/20 0.76
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 5/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
TNFRSF1A P19438 2/20 0.40
NPC1 O15118 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMPD3 Q9NY59 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
KEAP1 Q14145 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL12767019 0.86 ERN1 (1.00) ERN1TNFRSF1AIDO1TDO2
SCHEMBL13639877 0.81 ERN1 (0.66) ERN1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3609274 0.78 ERN1 (0.52) ERN1KDM4EALDH1A1MAPT
SCHEMBL17993572 0.77 ERN1 (0.69) ERN1KDM4EKMT2AMEN1MAPT
SCHEMBL3618769 0.77 ERN1 (0.51) ERN1ALDH1A1RAB9AHPGDNPC1
SCHEMBL17507431 0.77 ERN1 (0.61) ERN1ALDH1A1MAPTGAAKEAP1
SCHEMBL3611783 0.76 ERN1 (0.48) ERN1ALDH1A1HSD17B10KMT2AMEN1
SCHEMBL3618296 0.75 ERN1 (0.56) ERN1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL3604651 0.75 ERN1 (0.43) ERN1KDM4EALDH1A1RAB9ANPC1
SCHEMBL3614640 0.74 ABCB1 (0.45) ERN1KDM4EALDH1A1RAB9AHPGD

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 ERN1 2349/4885KDM4E 2483/4885ALDH1A1 3764/4885

“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.