SCHEMBL17169282

SCHEMBL17169282

C/C(=C\[C@H](O)C(F)(F)CO[Si](C)(C)C(C)(C)C)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 4/20 0.36
▸ ADRB1 P08588 4/20 0.36
▸ ADRB3 P13945 4/20 0.36
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ BACE1 P56817 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
SCHEMBL17169289 0.78 CES2 (0.34) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL17169104 0.74 CES2 (0.38) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL18623914 0.70 — —
SCHEMBL18623892 0.70 CES2 (0.42) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL17169224 0.69 — —
SCHEMBL18636668 0.68 RAB9A (0.44) ADRB2ADRB1ADRB3KMT2ARAB9A
SCHEMBL18623891 0.67 — —
SCHEMBL17169266 0.66 BACE1 (0.31) BACE1
SCHEMBL13663403 0.65 CES2 (0.43) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL18418231 0.65 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-03-16 — — US disclosed
US-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-03-16 — — US disclosed
WO-2015156421-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-10-15 — — 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-20170073337-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP ADRB2 97/4885ADRB1 57/4885ADRB3 228/4885

“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.

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