SCHEMBL7990965

SCHEMBL7990965

CC(C)(C)OC(=O)NC1=N[C@](C)(c2ccc(F)c(-c3cncnc3)c2)C[C@@H](C(C)(C)O)S1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.35
BACE1 P56817 15/20 0.35
BACE2 Q9Y5Z0 12/20 0.35
CTSD P07339 9/20 0.35
REN P00797 1/20 0.33
CYP17A1 P05093 1/20 0.33
BRAF P15056 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP3A5 P20815 1/20 0.31

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
SCHEMBL3182227 0.91 BACE1 (0.36) ABL1BACE1BACE2CTSDREN
SCHEMBL17004575 0.83 BACE1 (0.42) ABL1BACE1BACE2CTSDREN
SCHEMBL17004577 0.83 BACE1 (0.42) ABL1BACE1BACE2CTSDREN
SCHEMBL1424309 0.83 ABL1 (0.36) ABL1BACE1BACE2CTSDREN
SCHEMBL1421136 0.83 ABL1 (0.36) ABL1BACE1BACE2CTSDREN
SCHEMBL1421094 0.82 BACE1 (0.44) BACE1BACE2CTSDREN
SCHEMBL1420673 0.79 BACE1 (0.39) ABL1BACE1BACE2CTSDREN
SCHEMBL3185885 0.78 BACE1 (0.38) ABL1BACE1BACE2CTSDREN
SCHEMBL13533312 0.77 HCRTR1 (0.36) BACE1CTSD
SCHEMBL3171758 0.76 BACE1 (0.40) ABL1BACE1BACE2CTSDCYP17A1

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
EP-2297120-B1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE LILLY CO ELI (US) 2015-08-19 EP disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
US-7648983-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2010-01-19 US disclosed
WO-2009134617-A1 AMINODIHYDROTHIAZINE DERIVATIVES AS BACE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2009-11-05 WO disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 US disclosed
US-20090275566-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2009-11-05 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-20090275566-A1 BACE INHIBITORS BACE1, BACE2, APP ABL1 1002/4885BACE1 1/4885BACE2 2/4885

“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.