Sugi Predict

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SCHEMBL3857883

SCHEMBL3857883

CCCS(=O)(=O)c1cc(C(=O)OC)cc(N[C@@H](C)CC)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 4/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ BACE1 P56817 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ CXCR2 P25025 1/20 0.36
▸ KDM4E B2RXH2 8/20 0.35
▸ ALDH1A1 P00352 6/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ HPGD P15428 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 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
SCHEMBL3857887 1.00 HCAR3 (0.38) HCAR3HSD17B10BACE1LMNACXCR2
SCHEMBL3855243 0.89 HCAR3 (0.46) HCAR3BACE1CXCR2KMT2AITGB1
SCHEMBL3855240 0.89 HCAR3 (0.46) HCAR3BACE1CXCR2KMT2AITGB1
SCHEMBL3855149 0.86 BACE1 (0.47) HCAR3HSD17B10BACE1LMNAKDM4E
SCHEMBL3855146 0.86 BACE1 (0.47) HCAR3HSD17B10BACE1LMNAKDM4E
SCHEMBL3856974 0.85 HCAR3 (0.39) HCAR3HSD17B10BACE1LMNAKDM4E
SCHEMBL3856973 0.85 HCAR3 (0.39) HCAR3HSD17B10BACE1LMNAKDM4E
SCHEMBL5158231 0.84 CXCR2 (0.33) HCAR3BACE1CXCR2KMT2A
SCHEMBL3855054 0.83 LMNA (0.39) HCAR3HSD17B10BACE1LMNACXCR2
SCHEMBL3855055 0.83 LMNA (0.39) HCAR3HSD17B10BACE1LMNACXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618978-B2 Amides as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-11-17 — — US disclosed
US-7585885-B2 Pyrrolidine derivatives useful as BACE inhibitors ELI LILLY AND COMPANY (US) 2009-09-08 — — US disclosed
US-20070225372-A1 Amides as Bace Inhibitors ELI LILLY AND COMPANY 2007-09-27 — — US disclosed
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS ELI LILLY AND COMPANY 2007-09-13 — — US disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
EP-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — 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-20070225372-A1 Amides as Bace Inhibitors BACE2, BACE1, APP HCAR3 1734/4885HSD17B10 942/4885BACE1 2/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 HCAR3 3196/4885HSD17B10 2063/4885BACE1 1/4885

“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.