Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4964196

CN(Cc1ccc2c(c1)CCc1cc(C(N)=O)ccc1O2)C1CCCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ITK Q08881 3/20 0.37
OPRM1 P35372 6/20 0.37
OPRD1 P41143 6/20 0.37
KCNH2 Q12809 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PARP1 P09874 2/20 0.35
LTA4H P09960 1/20 0.34
DRD3 P35462 1/20 0.34
OPRK1 P41145 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
SCHEMBL5332624 0.93 HRH3 (0.44) HRH4HRH3ITKOPRM1OPRD1
SCHEMBL4965877 0.93 HRH3 (0.44) HRH4HRH3ITKOPRM1OPRD1
Trifluoroacetic Acid SCHEMBL4967345 0.80 TRPM8 (0.37) OPRM1OPRD1KCNH2OPRK1
Trifluoroacetic Acid SCHEMBL4964203 0.80 OPRM1 (0.52) OPRM1OPRD1RAB9AOPRK1
SCHEMBL3090217 0.74 HRH3 (0.64) HRH4HRH3ITKPARP1LTA4H
Hydrochloric Acid SCHEMBL28918864 0.73 HRH3 (0.62) HRH4HRH3ITKPARP1LTA4H
SCHEMBL4964378 0.72 HDAC1 (0.52) HRH3OPRM1OPRD1RAB9AOPRK1
SCHEMBL4966804 0.72 HDAC1 (0.52) HRH3OPRM1OPRD1RAB9AOPRK1
SCHEMBL19444786 0.72 HRH3 (0.50) HRH4HRH3ITKOPRM1OPRD1
SCHEMBL4965081 0.72 OPRM1 (0.36) OPRM1OPRD1DRD3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 EP claimed
US-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US claimed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 US claimed
EP-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 EP disclosed
US-7288543-B2 For therapy or prophylaxis of obesity and related diseases including eating disorders (bulimia, anorexia nervosa, etc.), diabetes, diabetic complications, diabetic retinopathy, sexual/reproductive disorders, depression, anxiety, epileptic seizure, hypertension, cerebral hemorrhage ELI LILLY AND COMPANY (US) 2007-10-30 US disclosed
US-20070179129-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2007-08-02 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-20070179129-A1 Opioid receptor antagonists OPRK1, OPRM1, OPRL1 HRH4 378/4885HRH3 711/4885ITK 3771/4885

“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.