SCHEMBL7925076

SCHEMBL7925076

COC(=O)c1ccc(C)c(NC(=O)CS)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
MAPT P10636 2/20 0.60
POLB P06746 2/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP2C9 P11712 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
SCHEMBL7933609 0.85 ALDH1A1 (0.70) ALDH1A1L3MBTL1MAPTHTTMEN1
SCHEMBL7240816 0.84 MDH1 (0.55) ALDH1A1L3MBTL1MAPTPOLBHTT
SCHEMBL1547669 0.81 ALDH1A1 (0.57) ALDH1A1L3MBTL1MAPTPOLBHTT
SCHEMBL9436316 0.81 ALDH1A1 (0.69) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL7937272 0.81 PDK1 (0.56) ALDH1A1MAPTHTTMEN1KMT2A
SCHEMBL7930528 0.80 P2RX7 (0.59) ALDH1A1MAPTPOLBHTTMEN1
SCHEMBL28661213 0.80 LMNA (0.62) ALDH1A1L3MBTL1MAPTHTTLMNA
SCHEMBL21561682 0.79 HDAC3 (0.62) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL3521535 0.78 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPTPOLBHTT
SCHEMBL4374456 0.78 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPTPOLBHTT

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 ALDH1A1 496/4885L3MBTL1 2203/4885MAPT 1781/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ALDH1A1 2213/4885L3MBTL1 3533/4885MAPT 2849/4885

“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.