Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL977636

CCCCCc1ccc(S(=O)(=O)NC2(CC(=O)O)CN(C)C2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.41
▸ IRS1 P35568 1/20 0.41
▸ GAB1 Q13480 1/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ DRD3 P35462 3/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ S1PR4 O95977 7/20 0.40
▸ S1PR1 P21453 7/20 0.40
▸ S1PR3 Q99500 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ S1PR2 O95136 1/20 0.40
▸ LMNA P02545 1/20 0.39

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
SCHEMBL15623169 0.94 AKT1 (0.45) AKT1IRS1GAB1DRD2DRD3
Trifluoroacetic Acid SCHEMBL979296 0.93 DRD2 (0.41) AKT1IRS1GAB1DRD2DRD3
Trifluoroacetic Acid SCHEMBL978387 0.92 DRD2 (0.40) AKT1IRS1GAB1DRD2DRD3
Trifluoroacetic Acid SCHEMBL977572 0.90 DRD2 (0.44) AKT1IRS1GAB1DRD2DRD3
SCHEMBL12923346 0.88 DRD2 (0.44) AKT1IRS1GAB1DRD2DRD3
Trifluoroacetic Acid SCHEMBL981068 0.87 S1PR4 (0.43) AKT1IRS1GAB1DRD2DRD3
SCHEMBL12923319 0.86 DRD2 (0.43) AKT1IRS1GAB1DRD2DRD3
SCHEMBL977637 0.85 FAAH (0.38) AKT1IRS1GAB1DRD2DRD3
SCHEMBL12923301 0.83 DRD2 (0.48) AKT1IRS1GAB1DRD2DRD3
Trifluoroacetic Acid SCHEMBL4022978 0.83 DRD2 (0.39) AKT1IRS1GAB1DRD2DRD3

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-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
WO-2009015485-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-02-05 — — 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-20110015174-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER CPT1A, CPT1B, CPT2 AKT1 2154/4885IRS1 1546/4885GAB1 1423/4885

“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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