Sugi Predict

Sugi Predict / Compounds / SCHEMBL6503499

SCHEMBL6503499

SCHEMBL6503499

CC(C)(C)C[C@H](Nc1nc(=O)oc2cc(F)ccc12)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ GRN P28799 1/20 0.34
▸ SORT1 Q99523 1/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ KCNH2 Q12809 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ KCNA5 P22460 1/20 0.32

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
SCHEMBL6503503 1.00 MAOB (0.35) MAOBNQO1CTSLALDH1A1PDE10A
SCHEMBL4839537 0.89 GRN (0.36) MAOBNQO1ALDH1A1GRNSORT1
SCHEMBL6502750 0.87 ALDH1A1 (0.46) MAOBNQO1ALDH1A1SORT1CNR2
SCHEMBL4828733 0.85 ALDH1A1 (0.34) MAOBNQO1ALDH1A1JAK2KCNH2
SCHEMBL6496216 0.84 ALDH1A1 (0.47) ALDH1A1GRNSORT1MEN1KMT2A
SCHEMBL5365086 0.84 ALDH1A1 (0.47) ALDH1A1GRNSORT1MEN1KMT2A
SCHEMBL6658321 0.81 CTSL (0.44) CTSL
SCHEMBL6495976 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EKCNA5
SCHEMBL6495982 0.76 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EKCNA5
SCHEMBL4828758 0.73 ALDH1A1 (0.46) ALDH1A1GRNSORT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936606-B2 Cyanoamido-containing heterocyclic compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-30 — — US claimed
EP-1434769-A2 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-07-07 — — EP claimed
US-20040063679-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. 2004-04-01 — — US claimed
WO-2003029200-A2 COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-04-10 — — WO claimed
US-6936606-B2 Cyanoamido-containing heterocyclic compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-30 — — US disclosed
WO-2005026145-A2 QUINOLONE ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 — — WO disclosed
US-20040063679-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS INC. 2004-04-01 — — 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 (1 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-20040063679-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB MAOB 1155/4885NQO1 1842/4885CTSL 8/4885

“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.