Sugi Predict

Sugi Predict / Compounds / SCHEMBL3854447

SCHEMBL3854447

SCHEMBL3854447

CCCN(C)c1cc(C(=O)OC)cc(NS(C)(=O)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ HCAR3 P49019 1/20 0.36
▸ HPGD P15428 4/20 0.35
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ NR3C1 P04150 1/20 0.33
▸ ACLY P53396 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL3855490 0.86 LMNA (0.35) KDM4EHSD17B10SMN1; SMN2LMNAALDH1A1
SCHEMBL3855487 0.82 KDM4E (0.39) KDM4EHSD17B10SMN1; SMN2LMNAALDH1A1
SCHEMBL3858500 0.82 LMNA (0.38) POLBKDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL3857572 0.78 ALDH1A1 (0.43) POLBKDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL2257869 0.74 POLB (0.48) POLBKDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL5159399 0.74 HCAR3 (0.38) KDM4ESMN1; SMN2LMNAALDH1A1HCAR3
SCHEMBL3854200 0.72 CXCR2 (0.42) POLBKDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL3854205 0.72 CXCR2 (0.42) POLBKDM4EHSD17B10SMN1; SMN2LMNA
SCHEMBL5159403 0.71 BACE1 (0.42) KDM4EHSD17B10LMNAALDH1A1HCAR3
SCHEMBL3350040 0.71 ALDH1A1 (0.41) KDM4ELMNAALDH1A1HPGDMAPT

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 6 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
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 POLB 1389/4885KDM4E 453/4885HSD17B10 942/4885
US-20070213331-A1 PYRROLIDINE DERIVATIVES USEFUL AS BASE INHIBITORS BACE1, BACE2, PSEN1 POLB 16/4885KDM4E 1975/4885HSD17B10 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.