SCHEMBL3969974

SCHEMBL3969974

[CH2]N1CCSc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
RYR2 Q92736 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
DHODH Q02127 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD4 P21917 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL19157294 0.75 NOTUM (0.51) NOTUMKDM4ELMNAL3MBTL1HPGD
SCHEMBL3969979 0.75 NOTUM (0.56) NOTUMKDM4ELMNAL3MBTL1HPGD
SCHEMBL3315465 0.75 NOTUM (0.51) NOTUMKDM4ELMNAL3MBTL1HPGD
SCHEMBL3968411 0.75 NOTUM (0.47) NOTUMKDM4ELMNAL3MBTL1HPGD
Hydrochloric Acid SCHEMBL5636567 0.73 NOTUM (0.50) NOTUMKDM4ELMNAL3MBTL1HPGD
SCHEMBL7561562 0.72 NOTUM (0.53) NOTUMKDM4ELMNAL3MBTL1HPGD
SCHEMBL2361734 0.72 NOTUM (0.53) NOTUMKDM4ELMNAL3MBTL1HPGD
SCHEMBL12570386 0.71 NOTUM (0.51) NOTUMKDM4ELMNAL3MBTL1HPGD
SCHEMBL12649500 0.71 POLB (0.52) NOTUMKDM4ELMNAGAATP53
SCHEMBL3965014 0.71 MAPT (0.52) NOTUMKDM4ELMNATP53MAPT

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 5 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-6884806-B2 Bicyclic lactam derivatives as inhibitors of matrix metalloproteinases and/or TNF-α converting enzyme (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-26 US disclosed
WO-2003055856-A2 BICYCLIC LACTAM DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-10 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 (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 NOTUM 1133/4885KDM4E 2397/4885LMNA 435/4885

“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.