SCHEMBL4420152

SCHEMBL4420152

O=C(NCCS(=O)(=O)NCc1ccccc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 1/20 0.56
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA9 Q16790 2/20 0.50
CASP1 P29466 1/20 0.50
TGM2 P21980 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
PLAU P00749 1/20 0.49
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49

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
SCHEMBL15470675 0.84 LMNA (0.53) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL4069328 0.84 LMNA (0.53) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL4409743 0.83 LMNA (0.58) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL4061201 0.82 LMNA (0.65) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL6284365 0.81 LMNA (0.63) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL3798700 0.81 LMNA (0.63) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL10873001 0.81 LMNA (0.63) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL2795077 0.81 LMNA (0.63) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL3798701 0.80 LMNA (0.61) LMNASMN1; SMN2HTTCA12CA1
SCHEMBL13055383 0.80 LMNA (0.80) LMNASMN1; SMN2HTTCA12CA1

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-7638638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2009-12-29 US disclosed
EP-1625122-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2006-02-15 EP disclosed
US-20040254226-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-16 US disclosed
WO-2004103993-A1 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-12-02 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-20040254226-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 LMNA 3534/4885SMN1; SMN2 3600/4885HTT 4144/4885

“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.