Sugi Predict

Sugi Predict / Compounds / SCHEMBL5532238

SCHEMBL5532238

SCHEMBL5532238

CC(C)(C)OC(=O)N1CCN(C(=O)NCCC(=O)N[C@@H](C#N)SCc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.39
▸ STS P08842 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ YAP1 P46937 1/20 0.38

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
SCHEMBL5523224 0.89 ALDH1A1 (0.53) ALDH1A1CYP1A2POLBCYP2C9GAA
SCHEMBL6876876 0.87 NAMPT (0.43) ALDH1A1CYP1A2POLBCYP2C9KDM4E
SCHEMBL6742151 0.82 STS (0.47) GPR119KEAP1NFE2L2SIGMAR1STS
SCHEMBL5532239 0.78 CTSS (0.46) GPR119ALDH1A1CYP1A2POLBCYP2C9
SCHEMBL5522704 0.75 GLS (0.44) ALDH1A1NAMPT
SCHEMBL5519770 0.74 PRMT5 (0.46) CYP1A2CYP2C9GAA
SCHEMBL5532237 0.73 CTSS (0.53) —
SCHEMBL15515225 0.72 KDM4E (0.63) GPR119KEAP1NFE2L2SMN1; SMN2STS
SCHEMBL6064318 0.70 NAMPT (0.39) POLBKDM4EPKMP2RY12NAMPT
SCHEMBL6742152 0.69 STS (0.50) GPR119STSACHEKDM4EPKM

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 GPR119 4611/4885KEAP1 479/4885NFE2L2 2924/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GPR119 4611/4885KEAP1 479/4885NFE2L2 2924/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 GPR119 4611/4885KEAP1 479/4885NFE2L2 2924/4885

“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.