Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL982487

CCCCCCCCc1ccc(NC(=O)NC2(CC(=O)O)CNC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.50
▸ S1PR4 O95977 7/20 0.47
▸ S1PR5 Q9H228 6/20 0.47
▸ S1PR3 Q99500 5/20 0.47
▸ S1PR2 O95136 1/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ EPHX1 P07099 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ THRA P10827 3/20 0.44
▸ THRB P10828 3/20 0.44
▸ FAAH O00519 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SPHK1 Q9NYA1 3/20 0.42

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
SCHEMBL12923362 0.94 S1PR1 (0.56) S1PR1EPHX2EPHX1CA12CA1
SCHEMBL982488 0.85 EPHX2 (0.44) S1PR1S1PR4S1PR5S1PR3EPHX2
Trifluoroacetic Acid SCHEMBL979212 0.85 S1PR1 (0.50) S1PR1S1PR4S1PR5S1PR3S1PR2
Trifluoroacetic Acid SCHEMBL977365 0.84 S1PR1 (0.48) S1PR1S1PR4S1PR5S1PR3S1PR2
Trifluoroacetic Acid SCHEMBL977959 0.82 S1PR1 (0.47) S1PR1S1PR4S1PR5S1PR3S1PR2
Trifluoroacetic Acid SCHEMBL980152 0.82 S1PR1 (0.43) S1PR1S1PR4S1PR5S1PR3S1PR2
SCHEMBL979925 0.82 EPHX2 (0.47) S1PR1EPHX2EPHX1CA12CA1
Trifluoroacetic Acid SCHEMBL979864 0.82 S1PR1 (0.47) S1PR1S1PR4S1PR5S1PR3EPHX2
SCHEMBL12923365 0.80 S1PR1 (0.55) S1PR1EPHX2EPHX1CA12CA1
Trifluoroacetic Acid SCHEMBL979585 0.80 S1PR1 (0.48) S1PR1S1PR4S1PR5S1PR3EPHX2

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 S1PR1 261/4885S1PR4 749/4885S1PR5 468/4885

“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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