SCHEMBL1980682

SCHEMBL1980682

CC(C)(C)OC(=O)NCCNc1nc2ccccc2o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.58
BRD4 O60885 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MALT1 Q9UDY8 1/20 0.48
PCSK9 Q8NBP7 2/20 0.45
LATS1 O95835 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OGFRL1 Q5TC84 1/20 0.43
GAA P10253 3/20 0.42
CTSS P25774 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL26554263 0.84 BCHE (0.46) BCHEBRD4NPC1RAB9ASMN1; SMN2
SCHEMBL17830181 0.84 ANO1 (0.47) BCHEBRD4TP53SMN1; SMN2GAA
SCHEMBL26554307 0.84 BCHE (0.46) BCHEBRD4MALT1LATS1GAA
SCHEMBL1984198 0.82 BCHE (0.44) BCHENPC1RAB9ATP53SMN1; SMN2
SCHEMBL1984200 0.82 BCHE (0.44) BCHENPC1RAB9ATP53SMN1; SMN2
SCHEMBL23336053 0.82 BCHE (0.44) BCHEBRD4MALT1LATS1GAA
SCHEMBL25057028 0.82 NPC1 (0.50) NPC1RAB9ATP53SMN1; SMN2PCSK9
SCHEMBL29437093 0.81 BCHE (0.46) BCHEBRD4MALT1LATS1GAA
SCHEMBL29437005 0.81 BCHE (0.51) BCHEBRD4NPC1RAB9AMALT1
SCHEMBL26554316 0.81 BCHE (0.51) BCHEBRD4NPC1RAB9AMALT1

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
EP-2513068-B1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-12-11 EP disclosed
US-8481547-B2 Substituted benzothiazole and benzoxazole derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-07-09 US disclosed
EP-2513068-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 Janssen Pharmaceutica, N.V. (BE) 2012-10-24 EP disclosed
WO-2011075631-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO disclosed
US-20110152287-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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-20110152287-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 DPP4, DPP7, DPP3 BCHE 504/4885BRD4 126/4885NPC1 500/4885

“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.