SCHEMBL7933997

SCHEMBL7933997

O=C(CS)Nc1cccc(S(=O)(=O)CCO)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK10 P53779 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL9149244 0.82 SMN1; SMN2 (0.53) CA1CA2MEN1KMT2APKM
Potassium SCHEMBL11516876 0.81 CA1 (0.54) CA1CA2MEN1KMT2AMAPT
SCHEMBL11516870 0.81 CA1 (0.54) CA1CA2MEN1KMT2AMAPT
Potassium Ion SCHEMBL11516871 0.79 CA1 (0.52) CA1CA2MEN1KMT2APKM
SCHEMBL27785864 0.79 ALDH1A1 (0.45) CA1CA2MEN1KMT2APKM
SCHEMBL4528062 0.78 KMT2A (0.49) CA1CA2MEN1KMT2APKM
SCHEMBL8516324 0.77 CA2 (0.47) CA1CA2MEN1KMT2APKM
SCHEMBL7031844 0.77 ALDH1A1 (0.46) CA1CA2MEN1KMT2APKM
SCHEMBL7084160 0.76 ALDH1A1 (0.54) CA1CA2MEN1KMT2APKM
SCHEMBL9342377 0.75 ALDH1A1 (0.43) CA1CA2MEN1KMT2APKM

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 CA1 291/4885CA2 495/4885MEN1 938/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 CA1 566/4885CA2 203/4885MEN1 1392/4885

“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.