SCHEMBL4174694

SCHEMBL4174694

CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccc(Oc3ncccc3C#N)cc12)C(=O)N1CSCC1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
SCN9A Q15858 2/20 0.41
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CCKBR P32239 1/20 0.38
ACE P12821 1/20 0.37
TACR1 P25103 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4113363 0.91 MEN1 (0.37) CTSLCTSSCTSKSCN9AMEN1
SCHEMBL4160587 0.88 CTSL (0.40) CTSLCTSSCTSKSCN9AHDAC1
SCHEMBL4102277 0.85 SCN9A (0.55) CTSLCTSSCTSKSCN9ACCKBR
SCHEMBL4119690 0.85 SCN9A (0.55) CTSLCTSSCTSKSCN9ACCKBR
SCHEMBL8251395 0.84 SCN9A (0.45) CTSLCTSSCTSKSCN9AHDAC1
SCHEMBL4162896 0.84 CTSL (0.42) CTSLCTSSCTSKSCN9ATACR1
SCHEMBL13814414 0.81 TACR1 (0.45) CTSLCTSSCTSKSCN9AHDAC1
SCHEMBL4113611 0.79 MEN1 (0.37) CCKBRMEN1KMT2A
SCHEMBL4167968 0.78 DPP4 (0.45) SCN9AMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4167971 0.78 DPP4 (0.45) SCN9AMEN1KMT2AMAPTSMN1; SMN2

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-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2009-06-11 US disclosed
EP-1912706-A4 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS AURIGENE DISCOVERY TECHNOLOGIE (IN) 2009-05-27 EP disclosed
EP-1912706-A2 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS Aurigene Discovery Technologies Limited (IN) 2008-04-23 EP disclosed
WO-2006134613-A2 NOVEL 5-SUBSTITUTED INDOLE DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV (DPP-IV) INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2006-12-21 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-20090149504-A1 Novel 5-Substituted Indole Derivatives As Dipeptidyl Peptidase IV (DPP-IV) Inhibitors DPP4, DPP3, DPP7 CTSL 394/4885CTSS 1084/4885CTSK 1113/4885

“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.