Sugi Predict

Sugi Predict / Compounds / SCHEMBL2819484

SCHEMBL2819484

SCHEMBL2819484

CC(C)(C)OC(=O)N[C@@H](CSCc1cccc(C(F)(F)F)n1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.57
▸ PPARG P37231 10/20 0.57
▸ PPARD Q03181 2/20 0.55
▸ ACE P12821 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL2819481 1.00 PPARA (0.57) PPARAPPARGPPARDACEALDH1A1
SCHEMBL2817608 0.82 CTSL (0.53) PPARAPPARGCTSSCTSK
SCHEMBL2817607 0.82 CTSL (0.53) PPARAPPARGCTSSCTSK
SCHEMBL1272746 0.80 PPARA (0.65) PPARAPPARGPPARDACEALDH1A1
SCHEMBL2820285 0.80 PPARA (0.65) PPARAPPARGPPARDACEALDH1A1
SCHEMBL19924835 0.79 KLK5 (0.45) ACECTSSCTSK
SCHEMBL19924836 0.79 KLK5 (0.45) ACECTSSCTSK
SCHEMBL17492174 0.78 PPARA (0.48) PPARAPPARGPPARDACEALDH1A1
SCHEMBL17492178 0.78 PPARA (0.48) PPARAPPARGPPARDACEALDH1A1
SCHEMBL3582418 0.77 PPARA (0.90) PPARAPPARGPPARDACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737300-B2 Processes and intermediates preparing cysteine protease inhibitors VIROBAY, INC. (US) 2010-06-15 — — US disclosed
US-7547701-B2 Haloalkyl containing compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-06-16 — — US disclosed
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors QUEST DIAGNOSTICS INVESTMENTS LLC 2008-05-15 — — US disclosed
EP-1663958-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2006-06-07 — — EP disclosed
US-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-08-18 — — US disclosed
WO-2005028429-A2 HALOALKYL CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-03-31 — — 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-20050182096-A1 Haloalkyl containing compounds as cysteine protease inhibitors CTSF, CTSS, CTSE PPARA 2614/4885PPARG 3391/4885PPARD 2476/4885
US-20080114175-A1 Processes and Intermediates Preparing Cysteine Protease Inhibitors SPINT2, PREP, CPN1 PPARA 4708/4885PPARG 4749/4885PPARD 4268/4885

“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.