SCHEMBL9557017

SCHEMBL9557017

Nc1ccc(CCC(=O)N2CCSC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 0.52
DPP7 Q9UHL4 6/20 0.49
NPC1 O15118 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NAAA Q02083 1/20 0.44
FKBP1A P62942 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL9557008 0.92 DPP4 (0.50) DPP4DPP7
SCHEMBL9556740 0.91 NPC1 (0.51) NPC1TDP1NAAAFKBP1APOLB
Hydrochloric Acid SCHEMBL9557197 0.90 DPP4 (0.49) DPP4DPP7
SCHEMBL9557266 0.85 DPP4 (0.62) DPP4DPP7NPC1TDP1NAAA
SCHEMBL4315286 0.85 DPP4 (0.51) DPP4DPP7
SCHEMBL3808771 0.85 DPP4 (0.65) DPP4NPC1TDP1NAAAFKBP1A
SCHEMBL9557012 0.82 SIGMAR1 (0.45) NPC1TDP1NAAAFKBP1A
SCHEMBL9556845 0.82 FKBP1A (0.64) NPC1FKBP1APOLB
SCHEMBL22851911 0.80 NPC1 (0.70) NPC1TDP1NAAAPOLB
SCHEMBL4398017 0.80 NPC1 (0.65) NPC1TDP1NAAAFKBP1APOLB

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-8470855-B2 Dual-use peptidase inhibitors as prodrugs for a therapy of inflammatory and other diseases IMTM GMBH (DE) 2013-06-25 US disclosed
US-20090124667-A1 Novel Dual-Use Peptidase Inhibitors as Prodrugs for a Therapy of Inflammatory and Other Diseases IMTM GMBH (DE) 2009-05-14 US disclosed
US-5198450-A PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USAGE OF THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 US disclosed
EP-0424528-A1 PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP 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-20090124667-A1 Novel Dual-Use Peptidase Inhibitors as Prodrugs for a Therapy of Inflammatory and Other Diseases CTSL, DAO, PEPD DPP4 214/4885DPP7 34/4885NPC1 2201/4885

“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.