SCHEMBL7937679

SCHEMBL7937679

O=C(CS)Nc1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
ALDH1A1 P00352 5/20 0.67
CYP1A2 P05177 3/20 0.65
CYP3A4 P08684 3/20 0.65
CYP2D6 P10635 3/20 0.65
CYP2C9 P11712 3/20 0.65
CYP2C19 P33261 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
CASP6 P55212 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.53
MAPT P10636 2/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.50
CLK2 P49760 1/20 0.50
PRKX P51817 1/20 0.50
CAMK2D Q13557 1/20 0.50
PKN2 Q16513 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50

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
SCHEMBL1143141 0.81 MEN1 (0.76) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL1039064 0.78 MEN1 (0.71) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL173400 0.78 NAMPT (0.69)
SCHEMBL29635809 0.78 NAMPT (0.69)
SCHEMBL25920740 0.77 GPR27 (0.68) MEN1KMT2AALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL7698005 0.76 EGLN1 (0.54) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL19329451 0.76 CASP6 (0.82) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL26715282 0.75 MEN1 (0.67) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL27572716 0.75 MEN1 (0.59) MEN1KMT2AALDH1A1CYP1A2CYP3A4
SCHEMBL28573140 0.75 KDM4E (0.71) MEN1KMT2AALDH1A1CYP1A2CYP3A4

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 MEN1 938/4885KMT2A 799/4885ALDH1A1 496/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MEN1 1392/4885KMT2A 3093/4885ALDH1A1 2213/4885

“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.