Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL980207

CN1CCCC(CC(=O)O)(NC(=O)c2ccc(CCc3ccccc3)o2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 9/20 0.37
▸ BACE1 P56817 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL12923328 0.94 PRSS1 (0.38) SLC6A9PRSS1PRSS2PRSS3TSHR
SCHEMBL980208 0.88 SLC6A9 (0.35) SLC6A9PRSS1PRSS2PRSS3TSHR
SCHEMBL977640 0.86 OPRM1 (0.38) SLC6A9PRSS1PRSS2PRSS3TSHR
SCHEMBL977848 0.84 KMT2A (0.37) TSHRALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL979474 0.77 ALDH1A1 (0.33) PRSS1PRSS2PRSS3ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL978104 0.76 ALDH1A1 (0.35) PRSS1PRSS2PRSS3ALDH1A1KDM4E
SCHEMBL12923331 0.75 TAAR1 (0.36) PRSS1PRSS2PRSS3ALDH1A1TAAR1
SCHEMBL12923305 0.74 TAAR1 (0.39) PRSS1PRSS2PRSS3HDAC1ALDH1A1
Trifluoroacetic Acid SCHEMBL977959 0.73 S1PR1 (0.47) —
Trifluoroacetic Acid SCHEMBL977799 0.72 SPHK1 (0.48) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680282-B2 Cyclic inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2014-03-25 — — US disclosed
US-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2011-01-20 — — 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 (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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 SLC6A9 709/4885BACE1 2259/4885PRSS1 992/4885

“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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