SCHEMBL1979283

SCHEMBL1979283

C#CCC(NC(=O)O)C(=O)NCCNc1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.47
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
GAA P10253 2/20 0.42
SCD O00767 1/20 0.41
HDAC6 Q9UBN7 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CTSL P07711 3/20 0.37
CSNK1D P48730 1/20 0.36
HCRTR2 O43614 3/20 0.36
PCSK9 Q8NBP7 1/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
ELANE P08246 1/20 0.35

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
SCHEMBL1984200 0.86 BCHE (0.44) CTSSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL1984198 0.86 BCHE (0.44) CTSSNPC1RAB9ASMN1; SMN2TP53
SCHEMBL12559472 0.84 CTSS (0.46) CTSSNPC1RAB9AGAASCD
Hydrochloric Acid SCHEMBL1981278 0.83 CTSS (0.46) CTSSNPC1RAB9AGAASCD
Hydrochloric Acid SCHEMBL1981274 0.83 CTSS (0.46) CTSSNPC1RAB9AGAASCD
SCHEMBL1985103 0.79 NPC1 (0.52) CTSSNPC1RAB9AGAASCD
SCHEMBL20964574 0.77 CTSS (0.49) CTSSNPC1RAB9AGAASCD
SCHEMBL25057028 0.73 NPC1 (0.50) CTSSNPC1RAB9AGAASCD
SCHEMBL4816936 0.69 NPC1 (0.51) NPC1RAB9AGAASMN1; SMN2TP53
SCHEMBL1980682 0.68 BCHE (0.58) CTSSNPC1RAB9AGAASMN1; 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 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
US-20110152287-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
WO-2011075631-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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-20110152287-A1 SUBSTITUTED BENZOTHIAZOLE AND BENZOXAZOLE DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 DPP4, DPP7, DPP3 CTSS 1527/4885NPC1 500/4885RAB9A 3547/4885

“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.