Sugi Predict

Sugi Predict / Compounds / SCHEMBL3854493

SCHEMBL3854493

SCHEMBL3854493

CC[C@H](C)Nc1cc(C(=O)OC)cc(C(C)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.41
▸ HCAR3 P49019 3/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 4/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33

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
SCHEMBL3854498 1.00 NOTUM (0.41) NOTUMHCAR3HSD17B10LMNAKDM4E
SCHEMBL3858147 0.88 HCAR3 (0.48) HCAR3L3MBTL1MEN1CYP1A2CYP2C19
SCHEMBL3859935 0.88 HCAR3 (0.48) HCAR3L3MBTL1MEN1CYP1A2CYP2C19
SCHEMBL5156004 0.85 HCAR3 (0.34) NOTUMHCAR3HSD17B10KDM4EALDH1A1
SCHEMBL3855162 0.83 HCAR3 (0.38) NOTUMHCAR3HSD17B10LMNAKDM4E
SCHEMBL3855158 0.83 HCAR3 (0.38) NOTUMHCAR3HSD17B10LMNAKDM4E
SCHEMBL3853513 0.80 HCAR3 (0.43) HCAR3HSD17B10LMNAKDM4EALDH1A1
SCHEMBL3853514 0.80 HCAR3 (0.43) HCAR3HSD17B10LMNAKDM4EALDH1A1
SCHEMBL3853356 0.80 HCAR3 (0.41) NOTUMHCAR3HSD17B10LMNAKDM4E
SCHEMBL3853359 0.80 HCAR3 (0.41) NOTUMHCAR3HSD17B10LMNAKDM4E

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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
WO-2005108391-A1 AMIDES 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 NOTUM 388/4885HCAR3 1734/4885HSD17B10 942/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 NOTUM 1220/4885HCAR3 3196/4885HSD17B10 2063/4885

“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.