Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3345474

NC(=O)c1cccc(-c2ccc(CNC3Cc4ccccc4C3)cn2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.46
OPRM1 P35372 4/20 0.44
OPRD1 P41143 4/20 0.44
OPRK1 P41145 4/20 0.44
KDM1A O60341 2/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HDAC1 Q13547 1/20 0.43
F11 P03951 1/20 0.42
KLKB1 P03952 1/20 0.42
HTR5A P47898 1/20 0.41
PRMT5 O14744 1/20 0.41
HPGDS O60760 2/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ATR Q13535 1/20 0.39
APOB P04114 1/20 0.39
MTTP P55157 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
SCHEMBL12651277 0.93 KDM1A (0.50) OPRM1OPRD1OPRK1KDM1ACYP11B1
Trifluoroacetic Acid SCHEMBL1790201 0.87 SLC2A1 (0.58) SLC2A1OPRM1OPRD1OPRK1KDM1A
Trifluoroacetic Acid SCHEMBL3345314 0.84 OPRM1 (0.45) OPRM1OPRD1OPRK1KDM1ACYP11B1
Trifluoroacetic Acid SCHEMBL3339102 0.83 HDAC1 (0.52) SLC2A1OPRM1OPRD1OPRK1HDAC1
Trifluoroacetic Acid SCHEMBL3339975 0.82 OPRM1 (0.52) SLC2A1OPRM1OPRD1OPRK1KDM1A
SCHEMBL3345482 0.82 NPC1 (0.45) SLC2A1KDM1AHDAC1APOBMTTP
Trifluoroacetic Acid SCHEMBL3342665 0.80 SLC2A1 (0.50) SLC2A1OPRM1OPRD1OPRK1HDAC1
SCHEMBL1785708 0.79 HDAC1 (0.60) SLC2A1OPRM1OPRD1OPRK1KDM1A
SCHEMBL1347367 0.79 KDM1A (0.47) KDM1ACYP11B1CYP11B2HPGDSMAOA
SCHEMBL1346050 0.79 KDM1A (0.47) KDM1ACYP11B1CYP11B2HPGDSMAOA

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-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 SLC2A1 2287/4885OPRM1 4/4885OPRD1 2/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 SLC2A1 4173/4885OPRM1 2/4885OPRD1 4/4885

“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.