SCHEMBL7930522

SCHEMBL7930522

COc1ccc(NC(=O)CS)cc1F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
FFAR1 O14842 1/20 0.50
ENPP1 P22413 4/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 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
SCHEMBL8327094 0.86 TSHR (0.59) MAP2K1SMN1; SMN2POLBKMT2ACYP1A2
SCHEMBL7930456 0.86 SMN1; SMN2 (0.66) SMN1; SMN2MEN1MAPTKMT2AL3MBTL1
SCHEMBL20679600 0.85 SMN1; SMN2 (0.53) MAP2K1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL24499181 0.85 SMN1; SMN2 (0.53) MAP2K1SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL29965698 0.85 SMN1; SMN2 (0.53) MAP2K1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL7931398 0.83 MEN1 (0.53) SMN1; SMN2MEN1POLBMAPTKMT2A
SCHEMBL10886971 0.83 POLB (0.51) SMN1; SMN2MEN1POLBMAPTKMT2A
SCHEMBL18516263 0.82 MET (0.55) MAP2K1SMN1; SMN2MEN1KMT2AFFAR1
SCHEMBL5621845 0.82 CYP1A2 (0.51) MAP2K1SMN1; SMN2CYP1A2CYP2C19FFAR1
SCHEMBL21405761 0.82 MAPT (0.50) SMN1; SMN2MEN1POLBMAPTKMT2A

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 MAP2K1 4597/4885SMN1; SMN2 313/4885MEN1 938/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 MAP2K1 4560/4885SMN1; SMN2 120/4885MEN1 1392/4885

“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.