SCHEMBL7930552

SCHEMBL7930552

O=C(CS)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.59
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA9 Q16790 2/20 0.49
NAMPT P43490 1/20 0.48
ATM Q13315 1/20 0.46
PRMT1 Q99873 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MMP2 P08253 1/20 0.44
MMP14 P50281 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL6000350 0.83 CA1 (0.61) KIF11CA1CA2CA9PRMT1
SCHEMBL9083215 0.81 KIF11 (0.68) KIF11CA1CA2CA9NAMPT
SCHEMBL6001655 0.80 CA1 (0.57) KIF11CA1CA2CA9NAMPT
SCHEMBL8023001 0.80 CA1 (0.68) KIF11CA1CA2CA9NAMPT
SCHEMBL3711978 0.80 KIF11 (0.66) KIF11CA1CA2CA9NAMPT
SCHEMBL11521632 0.80 CA1 (0.54) CA1CA2CA9ATMPRMT1
SCHEMBL1509976 0.78 MEN1 (0.64) CA1CA2CA9MEN1KMT2A
Potassium Ion SCHEMBL11518545 0.78 CA1 (0.53) CA1CA2CA9ATMPRMT1
SCHEMBL15533302 0.78 KIF11 (0.64) KIF11CA1CA2CA9NAMPT
SCHEMBL11518539 0.78 CA1 (0.53) CA1CA2CA9ATMPRMT1

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 KIF11 1765/4885CA1 291/4885CA2 495/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 KIF11 1556/4885CA1 566/4885CA2 203/4885

“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.