SCHEMBL7932275

SCHEMBL7932275

COc1ccc(C)cc1NC(=O)CS

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.68
TSHR P16473 1/20 0.66
TDP1 Q9NUW8 2/20 0.64
GAA P10253 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 4/20 0.59
HTT P42858 1/20 0.57
MAPT P10636 4/20 0.57
POLB P06746 2/20 0.56
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56

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
SCHEMBL5807397 0.84 KMT2A (0.73) SMN1; SMN2GAAL3MBTL1MEN1KMT2A
SCHEMBL10684407 0.84 SMN1; SMN2 (0.68) SMN1; SMN2TSHRTDP1GAAL3MBTL1
SCHEMBL6442338 0.84 SMN1; SMN2 (0.72) SMN1; SMN2TSHRTDP1GAAL3MBTL1
SCHEMBL30420419 0.84 SMN1; SMN2 (0.72) SMN1; SMN2TSHRTDP1GAAL3MBTL1
SCHEMBL7931375 0.83 KMT2A (0.80) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7240816 0.82 MDH1 (0.55) TSHRGAAL3MBTL1MEN1KMT2A
SCHEMBL7821283 0.82 TSHR (0.71) SMN1; SMN2TSHRTDP1GAAL3MBTL1
SCHEMBL11660382 0.82 HPGD (0.70) SMN1; SMN2TSHRTDP1GAAL3MBTL1
SCHEMBL862532 0.82 TSHR (0.70) SMN1; SMN2TSHRTDP1GAAL3MBTL1
SCHEMBL7934047 0.81 HTT (0.67) TSHRTDP1MEN1KMT2AALDH1A1

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 SMN1; SMN2 313/4885TSHR 4106/4885TDP1 1941/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 SMN1; SMN2 120/4885TSHR 656/4885TDP1 2088/4885

“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.