SCHEMBL7931673

SCHEMBL7931673

C[C@H](NC(=O)CS)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.64
HCRTR1 O43613 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
F7 P08709 2/20 0.53
F2 P00734 1/20 0.53
F10 P00742 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE2A O00408 1/20 0.51
UGT2B7 P16662 1/20 0.50
METAP2 P50579 1/20 0.49
METAP1 P53582 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL3523094 1.00 MMP9 (0.64) MMP9HCRTR1TDP1F7F2
SCHEMBL1143366 1.00 MMP9 (0.64) MMP9HCRTR1TDP1F7F2
SCHEMBL18068729 0.88 MMP9 (0.64) MMP9HCRTR1TDP1F7F2
SCHEMBL4857933 0.86 ALDH1A1 (0.64) MMP9HCRTR1TDP1F7F2
SCHEMBL4037714 0.86 ALDH1A1 (0.64) MMP9HCRTR1TDP1F7F2
SCHEMBL12354758 0.85 MMP9 (0.61) MMP9HCRTR1TDP1F7F2
SCHEMBL9002961 0.85 ALDH1A1 (0.68) MMP9HCRTR1TDP1POLBMAPT
SCHEMBL8339684 0.84 HCRTR1 (0.62) MMP9HCRTR1TDP1F7F2
SCHEMBL18137208 0.84 MMP9 (0.59) MMP9HCRTR1TDP1F7F2
SCHEMBL8339690 0.84 HCRTR1 (0.62) MMP9HCRTR1TDP1F7F2

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 MMP9 3/4885HCRTR1 2601/4885TDP1 1941/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MMP9 308/4885HCRTR1 188/4885TDP1 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.