SCHEMBL309577

SCHEMBL309577

COc1ccc(COCC(O)C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.60
▸ CA2 P00918 1/20 0.60
▸ HDAC4 P56524 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ LMNA P02545 1/20 0.47
▸ IDO1 P14902 2/20 0.44
▸ AGXT P21549 2/20 0.44
▸ APP P05067 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ LDHA P00338 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TBXAS1 P24557 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL309576 1.00 CA1 (0.60) CA1CA2HDAC4HDAC6LMNA
SCHEMBL18480978 0.81 CA1 (0.54) CA1CA2HDAC4HDAC6LMNA
SCHEMBL24634748 0.81 CA1 (0.70) CA1CA2IDO1AGXTAPP
SCHEMBL8082823 0.81 CA1 (0.70) CA1CA2IDO1AGXTAPP
SCHEMBL18422360 0.81 CA1 (0.50) CA1CA2HDAC4HDAC6LMNA
SCHEMBL19923359 0.81 CA1 (0.50) CA1CA2HDAC4HDAC6LMNA
SCHEMBL13109585 0.80 CA1 (0.73) CA1CA2IDO1AGXTAPP
SCHEMBL18422362 0.80 CA1 (0.49) CA1CA2HDAC4HDAC6LMNA
SCHEMBL18422361 0.80 CA1 (0.49) CA1CA2HDAC4HDAC6LMNA
SCHEMBL15831104 0.80 CA1 (0.68) CA1CA2IDO1AGXTAPP

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
CN-107849017-B 1,1, 1-trifluoro-3-hydroxypropan-2-ylcarbamate derivatives and 1,1, 1-trifluoro-4-hydroxybutyl-2-ylcarbamate derivatives as MAGL inhibitors 辉瑞公司 2021-03-30 — — CN disclosed
WO-2018134695-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 — — WO disclosed
US-20180208607-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 — — US disclosed
US-8093406-B2 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2012-01-10 — — US disclosed
EP-2303857-A1 CYCLIC SULFONES WITH AMINOBENZYL SUBSTITUTION USEFUL AS BACE INHIBITORS Novartis AG (CH) 2011-04-06 — — EP disclosed
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors NOVARTIS AG (CH) 2010-03-04 — — 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 (2 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-20180208607-A1 1,1,1-TRIFLUORO-3-HYDROXYPROPAN-2-YL CARBAMATE DERIVATIVES AS MAGL INHIBITORS MAG, PYM1, HIF1AN CA1 420/4885CA2 920/4885HDAC4 2332/4885
US-20100056490-A1 Cyclic sulfones with aminobenzyl substitution useful as BACE inhibitors BACE2, BACE1, APP CA1 169/4885CA2 101/4885HDAC4 2268/4885

“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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