SCHEMBL7933609

SCHEMBL7933609

COC(=O)c1ccc(C(=O)OC)c(NC(=O)CS)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.70
KDM4E B2RXH2 14/20 0.70
HPGD P15428 5/20 0.70
HSD17B10 Q99714 3/20 0.70
MAPT P10636 3/20 0.68
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
TSHR P16473 2/20 0.61
DNMT1 P26358 1/20 0.61
LMNA P02545 3/20 0.60
GAA P10253 2/20 0.59
GLA P06280 1/20 0.59
HTT P42858 1/20 0.58
PKM P14618 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL7925076 0.85 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL15898543 0.85 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL7240816 0.84 MDH1 (0.55) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL14513124 0.84 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL7935548 0.84 KMT2A (0.55) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL13265935 0.81 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL14338571 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL13088436 0.81 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL30487008 0.81 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10MAPT
SCHEMBL14413343 0.81 KDM4E (0.69) ALDH1A1KDM4EHPGDHSD17B10MAPT

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
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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 (2 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ALDH1A1 496/4885KDM4E 1274/4885HPGD 194/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885KDM4E 1963/4885HPGD 599/4885

“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.