SCHEMBL4858672

SCHEMBL4858672

COC(=O)c1sc2cnccc2c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
KDM4E B2RXH2 3/20 0.72
GLA P06280 3/20 0.72
GAA P10253 3/20 0.72
HSD17B10 Q99714 3/20 0.72
HPGD P15428 3/20 0.72
CASP1 P29466 1/20 0.72
HTT P42858 1/20 0.72
CASP7 P55210 1/20 0.72
NCOA1 Q15788 1/20 0.72
RCE1 Q9Y256 1/20 0.72
NCOA3 Q9Y6Q9 1/20 0.72
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
ICAM1 P05362 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
SCHEMBL4856080 0.88 ALDH1A1 (0.59) ALDH1A1KDM4EGLAGAAHSD17B10
SCHEMBL1813746 0.85 ALDH1A1 (0.72) ALDH1A1KDM4EGLAGAAHSD17B10
SCHEMBL30555073 0.84 KDM4E (0.52) ALDH1A1KDM4EGLAGAAHSD17B10
SCHEMBL1218547 0.84 KDM4E (0.52) ALDH1A1KDM4EGLAGAAHSD17B10
SCHEMBL9541294 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAHSD17B10
SCHEMBL7836288 0.84 KDM4E (1.00) ALDH1A1KDM4EGLAGAAHSD17B10
SCHEMBL16238134 0.84 ALDH1A1 (0.70) ALDH1A1KDM4EGLAGAAHSD17B10
SCHEMBL4860395 0.84 ALDH1A1 (0.70) ALDH1A1KDM4EGLAGAAHSD17B10
SCHEMBL21950008 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EGLAGAAHSD17B10
SCHEMBL4651653 0.78 MAPK1 (0.71) ALDH1A1KDM4EGLAGAAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456192-B2 3β-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2008-11-25 US disclosed
EP-1440075-B1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PF MEDICAMENT (FR) 2005-06-08 EP disclosed
US-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof PIERRE FABRE MEDICAMENT (FR) 2005-04-14 US disclosed
EP-1440075-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2004-07-28 EP disclosed
WO-2003037904-A1 NOVEL 3BETA-AMINO AZABICYCLOOCTANE HETEROAROMATIC AMIDE DERIVATIVES, PREPARATION METHOD AND THERAPEUTIC USES THEREOF PIERRE FABRE MEDICAMENT (FR) 2003-05-08 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-20050080085-A1 Novel 3beta-amino azabicyclooctane heteroaromatic amid derivatives preparation method and therapeutic uses thereof AOC3, MAOB, AOC1 ALDH1A1 1130/4885KDM4E 2970/4885GLA 3838/4885

“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.