Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4331249

CC1(C)CC(NC(=O)c2nc(-c3ccc(F)cc3)c3ccccn23)CCO1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.40
RORC P51449 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR4 Q13639 4/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
APAF1 O14727 1/20 0.37
CSNK1D P48730 1/20 0.37
CSNK1E P49674 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
BTK Q06187 1/20 0.37
PPARG P37231 1/20 0.37
CNR1 P21554 1/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 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
SCHEMBL13578198 0.95 GABRA5 (0.41) GABRA5RORCMEN1KMT2AHTR4
Trifluoroacetic Acid SCHEMBL4325479 0.92 MAP2K3 (0.46) GABRA5RORCMEN1KMT2AHTR4
Trifluoroacetic Acid SCHEMBL4333549 0.87 ATM (0.42) GABRA5RORCMEN1KMT2ANPC1
Trifluoroacetic Acid SCHEMBL4339713 0.87 CSNK1D (0.46) GABRA5RORCHTR4CSNK1DCSNK1E
Trifluoroacetic Acid SCHEMBL4321784 0.85 KMT2A (0.42) GABRA5MEN1KMT2AHTR4NPC1
SCHEMBL13578151 0.85 MAP2K3 (0.51) GABRA5HTR4NPC1RAB9AAPAF1
Trifluoroacetic Acid SCHEMBL4326422 0.85 L3MBTL1 (0.42) RORCKMT2AHTR4KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL4339706 0.83 RORC (0.42) RORCHTR4PPARGCNR1CYP3A4
Trifluoroacetic Acid SCHEMBL4336494 0.82 RORC (0.44) RORCHTR4CSNK1DCSNK1EKDM4E
SCHEMBL13578200 0.81 CSNK1D (0.47) GABRA5RORCHTR4CSNK1DCSNK1E

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 GABRA5 104/4885RORC 135/4885MEN1 4456/4885

“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.