SCHEMBL7939133

SCHEMBL7939133

CCOC(=O)c1sc(NC(=O)CS)nc1C

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.72
HPGD P15428 1/20 0.72
KDM4E B2RXH2 3/20 0.68
LMNA P02545 2/20 0.68
NPSR1 Q6W5P4 2/20 0.68
GAA P10253 1/20 0.65
NPC1 O15118 3/20 0.65
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 1/20 0.62
MAPT P10636 1/20 0.62
CSNK1D P48730 3/20 0.60
RXFP1 Q9HBX9 2/20 0.60
HTT P42858 1/20 0.60
POLB P06746 1/20 0.58
KIFC1 Q9BW19 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
SCHEMBL28340135 0.86 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ELMNANPSR1
SCHEMBL27224566 0.86 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ELMNANPSR1
SCHEMBL25290142 0.83 ALDH1A1 (0.73) ALDH1A1HPGDKDM4ELMNANPSR1
SCHEMBL8555317 0.82 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ELMNANPSR1
SCHEMBL7923956 0.82 ALDH1A1 (0.70) ALDH1A1KDM4ELMNANPSR1GAA
SCHEMBL14931528 0.81 ALDH1A1 (1.00) ALDH1A1HPGDKDM4ELMNANPSR1
SCHEMBL7147053 0.81 ALDH1A1 (0.74) ALDH1A1HPGDKDM4ELMNANPSR1
SCHEMBL27361420 0.81 ALDH1A1 (0.74) ALDH1A1HPGDKDM4ELMNANPSR1
SCHEMBL8556695 0.80 L3MBTL1 (0.73) ALDH1A1HPGDKDM4ELMNANPSR1
SCHEMBL5351910 0.80 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ELMNANPSR1

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 496/4885HPGD 194/4885KDM4E 1274/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885HPGD 599/4885KDM4E 1963/4885

“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.