Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1783579

NC(=O)c1cccc(-c2ccc3c(c2)CCN(C2CCCCC2)C3)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.45
▸ DPP7 Q9UHL4 2/20 0.45
▸ DPP8 Q6V1X1 1/20 0.45
▸ DPP9 Q86TI2 1/20 0.45
▸ RIPK1 Q13546 1/20 0.42
▸ RORC P51449 1/20 0.40
▸ FAAH O00519 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ FAAH2 Q6GMR7 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ENPP2 Q13822 1/20 0.39
▸ TDP2 O95551 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ MCHR1 Q99705 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ OGG1 O15527 1/20 0.38

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
SCHEMBL12607809 0.93 FAAH (0.44) RIPK1RORCFAAHHRH3TRPA1
Trifluoroacetic Acid SCHEMBL3339550 0.88 DPP4 (0.42) DPP4DPP7DPP8DPP9RIPK1
Trifluoroacetic Acid SCHEMBL1786436 0.84 ENPP2 (0.47) DPP4DPP7DPP8DPP9RIPK1
SCHEMBL1786382 0.81 MAP4K1 (0.44) DPP4DPP8RIPK1RORCHRH3
Hydrochloric Acid SCHEMBL3340501 0.80 MAP4K1 (0.44) DPP4DPP8RIPK1RORCHRH3
SCHEMBL1785733 0.80 TDP2 (0.41) DPP4DPP8RIPK1RORCFAAH
SCHEMBL1783581 0.79 NPC1 (0.46) MGLLMCHR1
Trifluoroacetic Acid SCHEMBL1791141 0.76 OPRM1 (0.54) RIPK1PRMT5WDR77
Trifluoroacetic Acid SCHEMBL3343257 0.76 MAP4K1 (0.46) DPP4DPP7DPP8DPP9HRH3
SCHEMBL12607816 0.76 ENPP2 (0.52) FAAHHRH3TRPA1EPHX2FAAH2

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 4 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-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 — — US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 — — 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 (3 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 DPP4 1228/4885DPP7 1096/4885DPP8 932/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 DPP4 1431/4885DPP7 1333/4885DPP8 2313/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 DPP4 1228/4885DPP7 1096/4885DPP8 932/4885

“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.