Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3340083

CC1(C)CCC(NCc2ccc(-c3cccc(C(N)=O)c3F)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRK1 P41145 3/20 0.41
OPRD1 P41143 1/20 0.41
CHEK1 O14757 1/20 0.41
HTR5A P47898 1/20 0.38
APOB P04114 1/20 0.38
MTTP P55157 1/20 0.38
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
CCR2 P41597 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC2A1 P11166 4/20 0.37
SMO Q99835 1/20 0.35
OPRL1 P41146 1/20 0.35
EPHX2 P34913 1/20 0.35
PRCP P42785 1/20 0.34

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
SCHEMBL1784811 0.95 OPRM1 (0.44) OPRM1OPRK1OPRD1CHEK1JAK2
Trifluoroacetic Acid SCHEMBL3339087 0.91 OPRM1 (0.41) OPRM1OPRK1OPRD1CHEK1HTR5A
Trifluoroacetic Acid SCHEMBL3340938 0.89 OPRM1 (0.39) OPRM1OPRK1OPRD1CHEK1HTR5A
Trifluoroacetic Acid SCHEMBL3339192 0.87 BDKRB1 (0.41) JAK2JAK1SLC2A1
Trifluoroacetic Acid SCHEMBL3339670 0.86 BMPR1B (0.37) OPRM1OPRK1OPRD1JAK2JAK1
SCHEMBL1789817 0.84 OPRM1 (0.45) OPRM1OPRK1OPRD1CHEK1MEN1
Trifluoroacetic Acid SCHEMBL3339767 0.84 CHEK1 (0.40) OPRM1OPRK1CHEK1HTR5AAPOB
SCHEMBL12651387 0.83 OPRM1 (0.44) OPRM1OPRK1OPRD1CHEK1JAK2
Trifluoroacetic Acid SCHEMBL3341349 0.83 OPRM1 (0.52) OPRM1OPRK1OPRD1CHEK1HTR5A
Hydrochloric Acid SCHEMBL3341184 0.82 OPRM1 (0.44) OPRM1OPRK1OPRD1CHEK1JAK2

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 OPRM1 4/4885OPRK1 3/4885OPRD1 2/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 OPRM1 2/4885OPRK1 3/4885OPRD1 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.