SCHEMBL3965007

SCHEMBL3965007

[O]CN1CCSc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
TP53 P04637 4/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
NOTUM Q6P988 1/20 0.51
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
THRB P10828 2/20 0.46

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
SCHEMBL3965014 0.81 MAPT (0.52) MAPTTP53HDAC1HDAC6NOTUM
SCHEMBL12649500 0.81 POLB (0.52) MAPTTP53HDAC1HDAC6NOTUM
SCHEMBL9842388 0.81 HDAC1 (0.40) MAPTTP53HDAC1HDAC6NOTUM
SCHEMBL30808595 0.80 MAPT (0.65) MAPTTP53HDAC1HDAC6NOTUM
SCHEMBL7528285 0.79 MAPT (0.50) MAPTTP53HDAC1HDAC6NOTUM
SCHEMBL7258139 0.79 POLB (0.50) MAPTTP53HDAC1HDAC6NOTUM
SCHEMBL4823007 0.76 ALDH1A1 (0.45) MAPTTP53HDAC1HDAC6NOTUM
SCHEMBL8853801 0.75 HDAC1 (0.51) MAPTTP53HDAC1HDAC6NOTUM
SCHEMBL19157294 0.75 NOTUM (0.51) MAPTTP53HDAC1HDAC6NOTUM
SCHEMBL3315465 0.75 NOTUM (0.51) MAPTTP53HDAC1HDAC6NOTUM

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-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
US-6936620-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-30 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 MAPT 2040/4885TP53 2346/4885HDAC1 257/4885

“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.