SCHEMBL8141271

SCHEMBL8141271

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.49
▸ CTSK P43235 10/20 0.49
▸ CTSL P07711 2/20 0.46
▸ CTSB P07858 2/20 0.46
▸ PPARA Q07869 5/20 0.43
▸ PPARG P37231 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ACE P12821 1/20 0.42
▸ PPARD Q03181 2/20 0.41

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
SCHEMBL23273778 1.00 CTSS (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL23036809 1.00 CTSS (0.49) CTSSCTSKCTSLCTSBPPARA
SCHEMBL28462855 0.91 CTSK (0.51) CTSSCTSKCTSLCTSBPPARA
SCHEMBL28462823 0.91 CTSK (0.51) CTSSCTSKCTSLCTSBPPARA
SCHEMBL4656416 0.91 CTSK (0.51) CTSSCTSKCTSLCTSBPPARA
SCHEMBL21004186 0.86 CTSK (0.45) CTSSCTSKCTSLCTSB
SCHEMBL25166303 0.86 CTSK (0.45) CTSSCTSKCTSLCTSB
SCHEMBL9181378 0.86 CTSS (0.50) CTSSCTSKCTSLCTSBPPARA
SCHEMBL9181382 0.86 CTSS (0.50) CTSSCTSKCTSLCTSBPPARA
SCHEMBL14940839 0.86 CTSS (0.50) CTSSCTSKCTSLCTSBPPARA

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
CN-111777521-A Synthesis method of multi-configuration long-chain phenyl amino acid compound 苏州爱玛特生物科技有限公司 2020-10-16 — — CN disclosed
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 — — US disclosed
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2017-07-06 — — US disclosed
US-6018020-A VIRICIDES WHICH ARE PROTEASE INHIBITORS AGAINST HEPATITIS C AND HEPATITIS G HOFFMAN-LA ROCHE INC. (US) 2000-01-25 — — US disclosed
US-5866684-A Peptidyl inhibitors of viral proteases HOFFMANN-LA ROCHE INC. (US) 1999-02-02 — — 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 (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-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS CTSS 1084/4885CTSK 1762/4885CTSL 862/4885
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS CTSS 1084/4885CTSK 1762/4885CTSL 862/4885

“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.

Send feedback