SCHEMBL7923965

SCHEMBL7923965

CS(=O)(=O)c1ccc2nc(NC(=O)CS)sc2c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.78
ALDH1A1 P00352 7/20 0.74
CLK1 P49759 3/20 0.74
MEN1 O00255 4/20 0.71
KMT2A Q03164 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
HSD17B10 Q99714 2/20 0.71
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
CSNK1D P48730 1/20 0.67
WNT3A P56704 1/20 0.65
KDM4E B2RXH2 2/20 0.64
TSHR P16473 2/20 0.64
ESR1 P03372 1/20 0.64
HTT P42858 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TP53 P04637 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63

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
SCHEMBL15376878 0.84 ALDH1A1 (0.74) ACP1ALDH1A1CLK1MEN1KMT2A
SCHEMBL7924717 0.82 RAB9A (0.72) ACP1ALDH1A1CLK1MEN1KMT2A
SCHEMBL17287616 0.81 CSNK1D (1.00) ACP1ALDH1A1CLK1MEN1KMT2A
SCHEMBL1725743 0.79 WNT3A (1.00) ACP1ALDH1A1CLK1MEN1KMT2A
SCHEMBL7933342 0.79 PDPK1 (0.68) ALDH1A1CLK1MEN1KMT2ASMN1; SMN2
SCHEMBL7923452 0.79 DYRK1A (0.68) ALDH1A1CLK1MEN1KMT2ASMN1; SMN2
SCHEMBL7930375 0.79 RAB9A (0.68) ALDH1A1CLK1MEN1KMT2ASMN1; SMN2
SCHEMBL27913998 0.79 RAB9A (1.00) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL4749080 0.79 NPC1 (0.67) ACP1ALDH1A1CLK1MEN1KMT2A
SCHEMBL3022069 0.79 ALDH1A1 (0.66) ACP1ALDH1A1CLK1MEN1KMT2A

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 ACP1 4280/4885ALDH1A1 496/4885CLK1 4653/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ACP1 4380/4885ALDH1A1 2213/4885CLK1 3991/4885

“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.