Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3040336

COc1ccc2c(c1)CC(NCc1ccc(-c3ccc4[nH]cnc4c3)cc1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.44
SLC2A1 P11166 4/20 0.43
HTR5A P47898 1/20 0.40
APOB P04114 1/20 0.37
MTTP P55157 1/20 0.37
HDAC1 Q13547 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
NOS1 P29475 1/20 0.37
QPCT Q16769 1/20 0.36

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 SCHEMBL1874447 0.92 SMO (0.41) SMOSLC2A1MTNR1AMTNR1BNOS1
Trifluoroacetic Acid SCHEMBL3044087 0.91 ABCB1 (0.41) SMOSLC2A1HTR5AAPOBMTTP
Trifluoroacetic Acid SCHEMBL3050323 0.88 SLC2A1 (0.51) SMOSLC2A1HTR5AAPOBMTTP
Trifluoroacetic Acid SCHEMBL3052842 0.85 DRD2 (0.44) SMOSLC2A1HTR5AHDAC1MTNR1A
Trifluoroacetic Acid SCHEMBL1872975 0.84 QPCT (0.38) SMOSLC2A1QPCT
SCHEMBL13136999 0.84 MMP12 (0.49) QPCT
Trifluoroacetic Acid SCHEMBL3039719 0.83 MEN1 (0.43) SLC2A1HTR5AHDAC1
Trifluoroacetic Acid SCHEMBL1875942 0.82 OPRM1 (0.39) SMOSLC2A1HTR5AAPOBMTTP
Trifluoroacetic Acid SCHEMBL1879953 0.82 OPRM1 (0.39) SMOSLC2A1HTR5AAPOBMTTP
Trifluoroacetic Acid SCHEMBL1874603 0.82 SLC2A1 (0.42) SMOSLC2A1HTR5AAPOBMTTP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 SMO 1029/4885SLC2A1 4262/4885HTR5A 190/4885

“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.