Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4329948

C[C@@H](NC(=O)c1nc(-c2cccc(Cl)c2)c2ccccn12)C(C)(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RORC P51449 12/20 0.43
CNR2 P34972 2/20 0.43
PPARG P37231 2/20 0.42

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
Trifluoroacetic Acid SCHEMBL4324553 1.00 ATM (0.46) ATMNPC1RAB9ACASP3SENP8
SCHEMBL4331255 0.94 CNR2 (0.45) ATMNPC1RAB9ARORCCNR2
Trifluoroacetic Acid SCHEMBL4326992 0.87 RORC (0.44) ATMNPC1RAB9ACASP3SENP8
Trifluoroacetic Acid SCHEMBL4341502 0.85 CNR2 (0.48) ATMNPC1RAB9ACASP3SENP8
Trifluoroacetic Acid SCHEMBL4327394 0.85 MAP2K3 (0.54) ATMNPC1RAB9ARORCCNR2
Trifluoroacetic Acid SCHEMBL4333495 0.85 CNR2 (0.46) ATMNPC1RAB9ARORCCNR2
Trifluoroacetic Acid SCHEMBL4324541 0.85 CNR2 (0.46) ATMNPC1RAB9ARORCCNR2
Trifluoroacetic Acid SCHEMBL4320255 0.84 CASP3 (0.46) ATMNPC1RAB9ACASP3SENP8
Trifluoroacetic Acid SCHEMBL4330430 0.84 CASP3 (0.46) ATMNPC1RAB9ACASP3SENP8
Trifluoroacetic Acid SCHEMBL4329955 0.83 CNR2 (0.49) RORCCNR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. 2009-12-31 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-20090325936-A1 IMIDAZOPYRIDINE ANALOGS AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES CNR2, CNR1, TRPV1 ATM 4038/4885NPC1 1236/4885RAB9A 1558/4885

“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.