SCHEMBL7923964

SCHEMBL7923964

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)CS

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
TACR1 P25103 1/20 0.55
POLB P06746 2/20 0.53
MMP8 P22894 1/20 0.52
ALDH1A1 P00352 2/20 0.52
EGFR P00533 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.50
RAB9A P51151 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
SCHEMBL9487303 0.88 TP53 (0.61) TP53TACR1POLBMMP8ALDH1A1
SCHEMBL9487298 0.88 TP53 (0.61) TP53TACR1POLBMMP8ALDH1A1
SCHEMBL7932774 0.87 MDM4 (0.51) TP53TACR1POLBALDH1A1KMT2A
SCHEMBL11559927 0.87 TP53 (0.60) TP53TACR1POLBMMP8ALDH1A1
SCHEMBL9385728 0.87 TP53 (0.60) TP53TACR1POLBMMP8ALDH1A1
SCHEMBL9385733 0.87 TP53 (0.60) TP53TACR1POLBMMP8ALDH1A1
SCHEMBL9146870 0.87 TP53 (0.60) TP53TACR1POLBMMP8ALDH1A1
SCHEMBL9146866 0.87 TP53 (0.60) TP53TACR1POLBMMP8ALDH1A1
SCHEMBL11022951 0.86 TP53 (0.59) TP53TACR1POLBMMP8ALDH1A1
SCHEMBL9488674 0.86 TP53 (0.59) TP53TACR1POLBMMP8ALDH1A1

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 TP53 2232/4885TACR1 2477/4885POLB 1320/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 TP53 4251/4885TACR1 146/4885POLB 3799/4885

“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.