SCHEMBL9943773

SCHEMBL9943773

NC(=O)[C@@H](N)Cc1cccs1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.59
CTSC P53634 13/20 0.57
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
LMNA P02545 1/20 0.46
CTSL P07711 1/20 0.44
CTSS P25774 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
SCHEMBL2712724 1.00 CYP2C19 (0.59) CYP2C19CTSCPOLBRAB9ASLC1A3
SCHEMBL2712722 1.00 CYP2C19 (0.59) CYP2C19CTSCPOLBRAB9ASLC1A3
Hydrochloric Acid SCHEMBL14956023 0.98 CYP2C19 (0.58) CYP2C19CTSCPOLBRAB9ASLC1A3
Hydrochloric Acid SCHEMBL14956021 0.98 CYP2C19 (0.58) CYP2C19CTSCPOLBRAB9ASLC1A3
SCHEMBL43293 0.85 CYP2C19 (0.70) CYP2C19CTSCPOLBRAB9ASLC1A3
SCHEMBL43292 0.85 CYP2C19 (0.70) CYP2C19CTSCPOLBRAB9ASLC1A3
SCHEMBL288244 0.85 CYP2C19 (0.70) CYP2C19CTSCPOLBRAB9ASLC1A3
Hydrochloric Acid SCHEMBL7382495 0.84 CYP2C19 (0.68) CYP2C19CTSCPOLBRAB9ASLC1A3
SCHEMBL13979539 0.84 CTSC (0.60) CYP2C19CTSCPOLBRAB9ASLC1A3
Hydrochloric Acid SCHEMBL7382497 0.84 CYP2C19 (0.68) CYP2C19CTSCPOLBRAB9ASLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464368-A1 CATHEPSIN C INHIBITORS Glaxo Group Limited (GB) 2012-06-20 EP disclosed
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2009-02-12 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-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 CYP2C19 4818/4885CTSC 364/4885POLB 3845/4885

“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.