SCHEMBL4354092

SCHEMBL4354092

COc1ccc(-c2nc(COc3ccc(C[C@H]4[C@@H](CN(CC(C)C)S(=O)(=O)c5ccc6c(c5)OCO6)OC(C)(C)N4C(=O)O)cc3)no2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
S1PR1 P21453 1/20 0.40
PPARG P37231 10/20 0.37
PPARA Q07869 10/20 0.37
PPARD Q03181 9/20 0.37
ABCB1 P08183 1/20 0.37
BCHE P06276 1/20 0.36
BMP1 P13497 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4341116 0.91 LMNA (0.37) LMNAHTTS1PR1PPARGPPARA
SCHEMBL4353115 0.89 ABCB1 (0.38) LMNAHTTS1PR1PPARGPPARA
SCHEMBL13631243 0.87 ABCB1 (0.49) LMNAHTTS1PR1PPARGPPARA
SCHEMBL6911278 0.87 S1PR1 (0.41) LMNAHTTS1PR1PPARGPPARA
SCHEMBL4354089 0.85 S1PR1 (0.40) S1PR1PPARGPPARAPPARDBMP1
SCHEMBL4347227 0.85 ADAMTS4 (0.46) LMNAHTTABCB1BMP1ALDH1A1
SCHEMBL4347715 0.84 LMNA (0.40) LMNAHTTABCB1BCHEALDH1A1
SCHEMBL4349451 0.84 TSHR (0.41) LMNAHTTABCB1ALDH1A1MAPT
SCHEMBL4353025 0.84 ADAMTS4 (0.40) LMNAHTTABCB1BMP1ALDH1A1
SCHEMBL13630991 0.83 ABCB1 (0.50) LMNAHTTS1PR1PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 LMNA 4130/4885HTT 1847/4885S1PR1 3645/4885

“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.