Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3339989

NC(=O)c1ccc(-c2csc(CNCCc3cccs3)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
LMNA P02545 1/20 0.38
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
HTR5A P47898 2/20 0.37
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS2 P35354 1/20 0.36
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHEK2 O96017 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL12651250 0.93 OPRM1 (0.48) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL1787656 0.88 OPRM1 (0.44) OPRM1OPRD1OPRK1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL3342509 0.84 OPRM1 (0.41) OPRM1OPRD1OPRK1NPC1RAB9A
Trifluoroacetic Acid SCHEMBL3341662 0.83 OPRM1 (0.43) OPRM1OPRD1OPRK1HTR5AKDM4E
Trifluoroacetic Acid SCHEMBL3345415 0.82 HDAC1 (0.40) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL3339991 0.82 MEN1 (0.44) NPC1RAB9ALMNASMN1; SMN2KDM4E
Trifluoroacetic Acid SCHEMBL1787276 0.78 HDAC1 (0.37) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL12607764 0.76 OPRM1 (0.47) OPRM1OPRD1OPRK1KDM4E
SCHEMBL12607760 0.76 OPRM1 (0.46) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL12651244 0.73 RAB9A (0.56) OPRM1OPRD1OPRK1NPC1RAB9A

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

“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.