SCHEMBL4411027

SCHEMBL4411027

NCCS(=O)(=O)NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.60
CA2 P00918 4/20 0.60
CA1 P00915 3/20 0.60
CA7 P43166 2/20 0.60
CA14 Q9ULX7 2/20 0.60
KEAP1 Q14145 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
POLB P06746 1/20 0.46
CA9 Q16790 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.45
NSD2 O96028 1/20 0.44

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
Hydrochloric Acid SCHEMBL23855474 0.98 CA2 (0.58) CA12CA2CA1CA7CA14
SCHEMBL6534021 0.88 CA12 (0.68) CA12CA2CA1CA7CA14
SCHEMBL13770963 0.86 CA2 (0.53) CA12CA2CA1CA7CA14
SCHEMBL4901848 0.84 CA2 (0.64) CA12CA2CA1CA7CA14
SCHEMBL393081 0.83 CA2 (0.63) CA12CA2CA1CA7CA14
SCHEMBL8298646 0.83 CA2 (0.58) CA12CA2CA1CA7CA14
SCHEMBL10371769 0.81 MEN1 (0.53) CA12CA2CA1ALDH1A1LMNA
SCHEMBL15178402 0.81 CA2 (0.53) CA12CA2CA1CA7CA14
SCHEMBL24990593 0.81 CA12 (0.59) CA12CA2CA1CA7CA14
SCHEMBL11690253 0.81 CA12 (0.59) CA12CA2CA1CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4022760-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US claimed
US-4022759-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US claimed
US-4022761-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US claimed
US-7638638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2009-12-29 US disclosed
US-7638638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2009-12-29 US disclosed
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
WO-2004103993-A1 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-12-02 WO disclosed
US-4022760-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US disclosed
US-4022760-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US disclosed
US-4022761-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US disclosed
US-4022759-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US disclosed
US-4022759-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 US disclosed
US-4022761-A HORMONES PARKE, DAVIS & COMPANY (US) 1977-05-10 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-20040254226-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 CA12 1088/4885CA2 2105/4885CA1 1549/4885

“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.