SCHEMBL21216675

SCHEMBL21216675

CC(F)(F)C1OCC2(c3cc(NC(=O)c4ccc(C#N)cn4)ccc3F)N=C(N)SC[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 1.00
BACE2 Q9Y5Z0 8/20 1.00
CTSD P07339 1/20 0.65
APP P05067 1/20 0.57

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
SCHEMBL18202561 1.00 BACE1 (1.00) BACE1BACE2CTSDAPP
SCHEMBL18202635 1.00 BACE1 (1.00) BACE1BACE2CTSDAPP
SCHEMBL18187494 1.00 BACE1 (1.00) BACE1BACE2CTSDAPP
SCHEMBL18202564 1.00 BACE1 (1.00) BACE1BACE2CTSDAPP
SCHEMBL18187501 0.97 BACE1 (0.94) BACE1BACE2CTSDAPP
SCHEMBL11027231 0.94 BACE1 (0.89) BACE1BACE2CTSD
Water SCHEMBL21525752 0.92 BACE1 (0.85) BACE1BACE2CTSDAPP
Water SCHEMBL18187500 0.92 BACE1 (0.85) BACE1BACE2CTSDAPP
Water SCHEMBL18187499 0.92 BACE1 (0.85) BACE1BACE2CTSDAPP
SCHEMBL18187503 0.92 BACE1 (0.85) BACE1BACE2CTSDAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190231791-A1 Combination Therapy LILLY CO ELI (US) 2019-08-01 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-20190231791-A1 Combination Therapy PSEN2, PSEN1, FCGRT BACE1 35/4885BACE2 94/4885CTSD 3738/4885

“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.