Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2519975

CCOC(=O)c1cc2n(c1)CCNC2.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ PKM P14618 1/20 0.39
▸ DPP4 P27487 2/20 0.36
▸ DPP7 Q9UHL4 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ POLB P06746 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL2522513 0.93 ALDH1A1 (0.36) ALDH1A1PKMDPP4DPP7KDM4E
SCHEMBL2519720 0.92 CA12 (0.41) ALDH1A1KDM4EHSD17B10HPGDCA12
Hydrochloric Acid SCHEMBL30782373 0.90 CA12 (0.40) ALDH1A1KDM4EHSD17B10CA12CA1
SCHEMBL12211189 0.84 RAB9A (0.40) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL25318763 0.71 RAB9A (0.45) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL2519976 0.70 NPSR1 (0.34) ALDH1A1DPP4DPP7KDM4EHSD17B10
SCHEMBL2517943 0.70 CHRNB2 (0.38) SLC6A4
SCHEMBL12283967 0.70 CYP2C9 (0.45) ALDH1A1KDM4EHSD17B10HPGDCA12
SCHEMBL2524424 0.68 PLK4 (0.43) ALDH1A1KDM4ECA12CA1CA2
SCHEMBL12271733 0.67 ALOX5 (0.43) ALDH1A1KDM4EHSD17B10HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 ALDH1A1 828/4885PKM 2246/4885DPP4 4248/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 ALDH1A1 828/4885PKM 2246/4885DPP4 4248/4885

“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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