Sugi Predict

Sugi Predict / Compounds / SCHEMBL5532239

SCHEMBL5532239

SCHEMBL5532239

CC(C)(C)OC(=O)N1CCN(C(=O)NCC(SCc2ccccc2)C(=O)NCC#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.46
▸ CTSK P43235 6/20 0.46
▸ CTSB P07858 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ STS P08842 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GLS O94925 2/20 0.41
▸ ACHE P22303 1/20 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
SCHEMBL5523231 0.88 ALDH1A1 (0.56) ALDH1A1CYP1A2POLBCYP2C9GAA
SCHEMBL6876880 0.87 KDM4E (0.42) CTSSCTSKCTSBCTSLALDH1A1
SCHEMBL6742152 0.83 STS (0.50) CTSSCTSKCTSBCTSLGPR119
SCHEMBL5522238 0.82 CTSS (0.60) CTSSCTSKCTSBCTSL
SCHEMBL5532237 0.82 CTSS (0.53) CTSSCTSKCTSBCTSL
SCHEMBL5518404 0.81 POLB (0.52) CTSLALDH1A1CYP1A2POLBGAA
SCHEMBL5532238 0.78 GPR119 (0.43) GPR119ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL5519985 0.76 STS (0.44) GPR119POLBGAATHRBSTS
SCHEMBL6742393 0.76 CTSS (0.49) CTSSCTSKCTSBCTSL
SCHEMBL15515225 0.75 KDM4E (0.63) GPR119SMN1; SMN2STSKDM4EPKM

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
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 — — US disclosed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 — — US disclosed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 — — EP disclosed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 — — US disclosed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 — — 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 (3 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSB 11/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSB 11/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CTSS 10/4885CTSK 32/4885CTSB 11/4885

“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.