SCHEMBL7932235

SCHEMBL7932235

CC(=O)c1ccc(NC(=O)CS)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.62
NPC1 O15118 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAPK1 P28482 1/20 0.58
RAB9A P51151 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL1509976 0.85 MEN1 (0.64) MAPTMEN1KMT2A
SCHEMBL5804324 0.84 SMN1; SMN2 (0.59) MAPTALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL2344100 0.82 CA12 (0.54) MAPTALDH1A1MEN1KMT2A
SCHEMBL31570085 0.82 MAPT (0.64) MAPTALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL925339 0.82 MAPT (0.64) MAPTALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL7363709 0.82 ALDH1A1 (0.66) MAPTALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL5803982 0.81 MEN1 (0.77) MAPTALDH1A1NPC1MAPK1RAB9A
SCHEMBL7687241 0.81 MAPT (0.62) MAPTALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL2556599 0.81 MAPT (0.62) MAPTALDH1A1NPC1SMN1; SMN2MAPK1
SCHEMBL20543330 0.81 MAPT (0.72) MAPTALDH1A1NPC1SMN1; SMN2MAPK1

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 MAPT 1781/4885ALDH1A1 496/4885NPC1 428/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAPT 2849/4885ALDH1A1 2213/4885NPC1 4147/4885

“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.