SCHEMBL3970320

SCHEMBL3970320

[O]CN1CCS(=O)(=O)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C9 P11712 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 3/20 0.32
GRIA2 P42262 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL12960882 0.84 HTT (0.41) MAPK1HTTMEN1KMT2ARXFP1
SCHEMBL23820014 0.79 MAPK1 (0.36) MAPK1HTTMEN1KMT2ARXFP1
SCHEMBL3972121 0.77 MAPK1 (0.37) MAPK1HTTMEN1KMT2ARXFP1
SCHEMBL4059736 0.77 RXFP1 (0.39) MAPK1KMT2ARXFP1L3MBTL1TP53
SCHEMBL11995145 0.74 CA2 (0.41) MAPK1HTTMEN1KMT2AHSD17B10
SCHEMBL15739664 0.74 CA12 (0.39) MAPK1HTTMEN1KMT2ARXFP1
SCHEMBL4053055 0.74 TSHR (0.31) MAPK1MEN1KMT2AL3MBTL1HSD17B10
SCHEMBL6809967 0.73 CA12 (0.33) MAPK1HTTMEN1KMT2AL3MBTL1
SCHEMBL6460905 0.73 MEN1 (0.45) MEN1KMT2A
SCHEMBL12405178 0.73 HTT (0.34) MAPK1HTTKMT2ARXFP1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US 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 (1 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 MAPK1 1769/4885HTT 4656/4885MEN1 2102/4885

“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.