Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21384697

COc1ccc(C(=C2CCNCC2)c2ccc(F)cc2)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.50
▸ PKM P14618 1/20 0.46
▸ OPRM1 P35372 7/20 0.45
▸ ABCB11 O95342 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ OPRK1 P41145 3/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ TPMT P51580 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CYP1A2 P05177 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP2D6 P10635 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
SCHEMBL21381903 0.91 OPRD1 (0.52) OPRD1OPRM1ABCB11KCNH2OPRK1
Trifluoroacetic Acid SCHEMBL30567949 0.84 OPRD1 (0.62) OPRD1PKMOPRM1ABCB11KCNH2
Trifluoroacetic Acid SCHEMBL21381795 0.84 OPRD1 (0.62) OPRD1PKMOPRM1ABCB11KCNH2
Trifluoroacetic Acid SCHEMBL30567974 0.83 CYP1A1 (0.46) OPRD1PKMOPRM1OPRK1CYP1A2
Trifluoroacetic Acid SCHEMBL29068355 0.83 CYP1A1 (0.46) OPRD1PKMOPRM1OPRK1CYP1A2
SCHEMBL21384698 0.78 ALDH1A1 (0.44) OPRD1OPRM1CA12CA1CA2
SCHEMBL21381645 0.77 KMT2A (0.46) OPRD1PKMOPRM1OPRK1CA12
Trifluoroacetic Acid SCHEMBL2310563 0.74 OPRD1 (0.57) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL2539292 0.74 OPRD1 (0.65) OPRD1OPRM1ABCB11KCNH2OPRK1
SCHEMBL21381733 0.73 OPRD1 (0.66) OPRD1PKMOPRM1ABCB11KCNH2

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-111936503-B Oxazine monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2023-09-12 — — CN disclosed
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 — — US disclosed
EP-3768684-B1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN LA ROCHE (CH) 2023-02-22 — — EP disclosed
US-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 — — US disclosed
EP-3768684-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2021-01-27 — — EP disclosed
WO-2019180185-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-09-26 — — 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 (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-20210107920-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC OPRD1 2016/4885PKM 2165/4885OPRM1 860/4885
US-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC OPRD1 2016/4885PKM 2165/4885OPRM1 860/4885

“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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