SCHEMBL16334202

SCHEMBL16334202

CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.49
CTSK P43235 3/20 0.49
PTPN1 P18031 1/20 0.44
S1PR3 Q99500 1/20 0.43
PPARA Q07869 5/20 0.43
PPARG P37231 4/20 0.43
ATM Q13315 1/20 0.43
ACE P12821 1/20 0.43
PPARD Q03181 2/20 0.42
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
GAA P10253 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
CNR2 P34972 1/20 0.40

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
SCHEMBL23886587 1.00 CTSS (0.49) CTSSCTSKPTPN1S1PR3PPARA
SCHEMBL8511514 1.00 CTSS (0.49) CTSSCTSKPTPN1S1PR3PPARA
SCHEMBL29571369 1.00 CTSS (0.49) CTSSCTSKPTPN1S1PR3PPARA
SCHEMBL30370648 1.00 CTSS (0.49) CTSSCTSKPTPN1S1PR3PPARA
SCHEMBL30370355 1.00 CTSS (0.49) CTSSCTSKPTPN1S1PR3PPARA
SCHEMBL3447506 0.89 CTSS (0.44) CTSSCTSKPTPN1S1PR3PPARA
SCHEMBL15269846 0.87 CTSS (0.45) CTSSCTSKPTPN1S1PR3ATM
SCHEMBL15670451 0.87 CTSS (0.45) CTSSCTSKPTPN1S1PR3ATM
SCHEMBL31444364 0.87 S1PR3 (0.43) CTSSCTSKPTPN1S1PR3PPARA
SCHEMBL6120380 0.85 MEN1 (0.47) ATMGAACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. 2023-05-25 US disclosed
EP-4126876-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS Global Blood Therapeutics, Inc. (US) 2023-02-08 EP disclosed
WO-2021202796-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-10-07 WO disclosed
EP-3013333-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME (US) 2019-03-27 EP disclosed
US-9549921-B2 Heterocyclic compounds and methods of use thereof for the treatment of hepatitis C MERCK SHARP & DOHME CORP. (US) 2017-01-24 US disclosed
US-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2016-05-26 US disclosed
EP-3013333-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C Merck Sharp & Dohme Corp. (US) 2016-05-04 EP disclosed
WO-2014205592-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed
WO-2014209729-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C MERCK SHARP & DOHME CORP. (US) 2014-12-31 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 (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-20160143895-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF FOR THE TREATMENT OF HEPATITIS C HCCS, HAVCR2, CPS1 CTSS 524/4885CTSK 765/4885PTPN1 2842/4885
US-20230159538-A1 PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS PDK1, PDK2, PKM CTSS 4325/4885CTSK 2102/4885PTPN1 3141/4885

“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.