SCHEMBL8539121

SCHEMBL8539121

CC12CCOCC1C(=O)c1cc(Br)c(F)cc1O2

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSD P07339 3/20 0.34
BACE1 P56817 3/20 0.34
MAP3K5 Q99683 2/20 0.31
ABCC9 O60706 1/20 0.30
KCNJ11 Q14654 1/20 0.30

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
SCHEMBL9882187 1.00 CTSD (0.34) CTSDBACE1MAP3K5ABCC9KCNJ11
SCHEMBL9882182 1.00 CTSD (0.34) CTSDBACE1MAP3K5ABCC9KCNJ11
SCHEMBL8539125 1.00 CTSD (0.34) CTSDBACE1MAP3K5ABCC9KCNJ11
SCHEMBL8532788 0.85 CTSD (0.34) CTSDBACE1
SCHEMBL9882184 0.85 CTSD (0.34) CTSDBACE1
SCHEMBL8532115 0.80 CYP19A1 (0.40) CTSDBACE1
SCHEMBL9882535 0.80 CYP19A1 (0.40) CTSDBACE1
SCHEMBL8532112 0.80 CYP19A1 (0.40) CTSDBACE1
SCHEMBL9882537 0.65 PBRM1 (0.33) CTSDBACE1
SCHEMBL8535160 0.65 PBRM1 (0.33) CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES GENENTECH, INC. 2012-06-21 US disclosed
WO-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 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-20120157448-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES BACE1, PSEN1, PSEN2 CTSD 224/4885BACE1 1/4885MAP3K5 2515/4885

“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.