SCHEMBL7932774

SCHEMBL7932774

CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.51
MDM2 Q00987 1/20 0.51
BACE1 P56817 1/20 0.51
LNPEP Q9UIQ6 1/20 0.48
TP53 P04637 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.45
ACE P12821 4/20 0.45
TACR1 P25103 2/20 0.45
MME P08473 2/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
NLRP3 Q96P20 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL25446654 0.89 MDM4 (0.53) MDM4MDM2BACE1LNPEPTP53
SCHEMBL12189522 0.89 MDM4 (0.53) MDM4MDM2BACE1LNPEPTP53
SCHEMBL28961707 0.87 MDM4 (0.52) MDM4MDM2BACE1LNPEPTP53
SCHEMBL25446577 0.87 MDM4 (0.52) MDM4MDM2BACE1LNPEPTP53
SCHEMBL7923964 0.87 TP53 (0.59) TP53KMT2AALDH1A1TACR1POLB
SCHEMBL7106299 0.86 MDM4 (0.51) MDM4MDM2BACE1LNPEPTP53
SCHEMBL10955169 0.86 LNPEP (0.51) MDM4MDM2BACE1LNPEPTP53
SCHEMBL21466071 0.85 ALDH1A1 (0.50) MDM4MDM2BACE1LNPEPNPSR1
SCHEMBL29352083 0.85 ALDH1A1 (0.50) MDM4MDM2BACE1LNPEPNPSR1
SCHEMBL25093150 0.84 FOLH1 (0.52) MDM4MDM2BACE1LNPEPNPSR1

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 MDM4 4007/4885MDM2 2208/4885BACE1 96/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MDM4 3906/4885MDM2 3512/4885BACE1 1643/4885

“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.