SCHEMBL17865714

SCHEMBL17865714

C#C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.58
CTSK P43235 8/20 0.58
CTSB P07858 4/20 0.58
CTSL P07711 2/20 0.58
ATM Q13315 1/20 0.57
ACE P12821 1/20 0.53
KLK5 Q9Y337 1/20 0.49
AKT1 P31749 1/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
APP P05067 1/20 0.47

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
SCHEMBL1519747 1.00 CTSS (0.58) CTSSCTSKCTSBCTSLATM
SCHEMBL1519749 1.00 CTSS (0.58) CTSSCTSKCTSBCTSLATM
SCHEMBL6292769 0.87 CTSS (0.60) CTSSCTSKCTSBCTSLATM
SCHEMBL3922795 0.87 CTSS (0.60) CTSSCTSKCTSBCTSLATM
SCHEMBL2402235 0.87 CTSS (0.60) CTSSCTSKCTSBCTSLATM
SCHEMBL2329795 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLATM
SCHEMBL2329798 0.86 CTSS (0.65) CTSSCTSKCTSBCTSLATM
SCHEMBL3060826 0.86 CTSS (0.63) CTSSCTSKCTSBCTSLATM
SCHEMBL21583948 0.86 CTSS (0.63) CTSSCTSKCTSBCTSLATM
SCHEMBL3060829 0.86 CTSS (0.63) CTSSCTSKCTSBCTSLATM

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-10927097-B2 Indole compound as inhibitor of necrosis LG CHEM, LTD. (KR) 2021-02-23 US disclosed
EP-3037418-B1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2019-10-02 EP disclosed
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG LIFE SCIENCES LTD. (KR) 2016-07-14 US disclosed
EP-3037418-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS LG Life Sciences Ltd. (KR) 2016-06-29 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 (2 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-10927097-B2 Indole compound as inhibitor of necrosis IDO1, IDO2, TNF CTSS 3106/4885CTSK 2170/4885CTSB 1409/4885
US-20160200709-A1 INDOLE COMPOUND AS INHIBITOR OF NECROSIS IDO1, IDO2, TNF CTSS 3180/4885CTSK 2399/4885CTSB 1568/4885

“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.