SCHEMBL17169104

SCHEMBL17169104

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.38
▸ CES1 P23141 2/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ ADRB2 P07550 4/20 0.34
▸ ADRB1 P08588 4/20 0.34
▸ ADRB3 P13945 4/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KAT6A Q92794 1/20 0.32

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
SCHEMBL18623892 0.84 CES2 (0.42) CES2CES1MEN1KMT2AGAA
SCHEMBL17169289 0.84 CES2 (0.34) CES2CES1MEN1KMT2AGAA
SCHEMBL13663403 0.78 CES2 (0.43) CES2CES1MEN1KMT2AGAA
SCHEMBL15086086 0.78 CES2 (0.43) CES2CES1MEN1KMT2AGAA
SCHEMBL15705136 0.77 CES2 (0.39) CES2CES1MEN1KMT2AGAA
SCHEMBL10948864 0.77 KDM1A (0.37) CES2CES1LMNA
SCHEMBL10948880 0.77 KDM1A (0.37) CES2CES1LMNA
SCHEMBL10948872 0.77 KDM1A (0.37) CES2CES1LMNA
SCHEMBL18636668 0.76 RAB9A (0.44) KMT2ARAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL17169282 0.74 ADRB2 (0.36) MEN1KMT2ARAB9AADRB2ADRB1

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 CES2 753/4885CES1 378/4885MEN1 3863/4885

“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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