SCHEMBL7934941

SCHEMBL7934941

O=C(CS)Nc1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.54
CA1 P00915 9/20 0.49
CA2 P00918 9/20 0.49
HTT P42858 1/20 0.43
CA4 P22748 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP12 P39900 1/20 0.43
MMP13 P45452 1/20 0.43
MMP14 P50281 1/20 0.43
MMP16 P51512 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
SCHEMBL25385787 0.82 HTR6 (0.51) HTR6CA1CA2HTTCA4
SCHEMBL10991718 0.82 HTR6 (0.62) HTR6CA1CA2HTTMMP1
SCHEMBL7933999 0.81 CA1 (0.73) CA1CA2CA4
SCHEMBL28213364 0.80 HTR6 (0.61) HTR6CA1CA2HTTMMP1
SCHEMBL10893891 0.79 HTR6 (0.64) HTR6HTT
SCHEMBL7932355 0.78 CA1 (0.46) CA1CA2CA4
SCHEMBL30567090 0.76 HTR6 (0.48) HTR6CA1CA2RXFP1
SCHEMBL8968938 0.75 HTR6 (0.54) HTR6
SCHEMBL702691 0.74 HTR6 (0.57) HTR6CA1CA2HTTMMP1
SCHEMBL20379649 0.74 HTR6 (0.53) HTR6HTTMMP2MMP3MMP9

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 HTR6 2401/4885CA1 291/4885CA2 495/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 HTR6 533/4885CA1 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.