SCHEMBL15839655

SCHEMBL15839655

CC(=O)c1cc([C@]2(C)C[C@@H](c3c(C)noc3C)SC(NC(=O)OC(C)(C)C)=N2)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.47
CYP2C8 P10632 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL15839603 0.89 BACE1 (0.49) BACE1CYP2C8KCNH2
SCHEMBL15821200 0.89 BACE1 (0.51) BACE1CYP2C8KCNH2
SCHEMBL15839653 0.89 BACE1 (0.47) BACE1CYP2C8KCNH2
SCHEMBL17260339 0.89 BACE1 (0.47) BACE1CYP2C8KCNH2
SCHEMBL15824540 0.89 BACE1 (0.47) BACE1CYP2C8KCNH2
SCHEMBL15839714 0.87 BACE1 (0.63) BACE1CYP2C8KCNH2
SCHEMBL15839654 0.85 BACE1 (0.57) BACE1CYP2C8KCNH2
SCHEMBL15839607 0.85 BACE1 (0.57) BACE1CYP2C8KCNH2
SCHEMBL15839709 0.85 BACE1 (0.68) BACE1CYP2C8KCNH2
SCHEMBL17260348 0.81 BACE1 (0.69) BACE1CYP2C8KCNH2

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-2935256-B1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2018-01-24 EP disclosed
US-9475784-B2 4,6-diarylaminothiazines as BACE1 inhibitors and their use for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-25 US disclosed
US-9475784-B2 4,6-diarylaminothiazines as BACE1 inhibitors and their use for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-25 US disclosed
US-20150329506-A1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-19 US disclosed
US-20150329506-A1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-19 US disclosed
WO-2014098831-A1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-26 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 (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-20150329506-A1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BACE1, APP, BACE2 BACE1 1/4885CYP2C8 1187/4885KCNH2 656/4885

“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.