Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1432041

Nc1ccc(CNC(=O)[C@@H](N)Cc2cccc3ccccc23)cn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.46
OPRK1 P41145 8/20 0.44
AKT1 P31749 2/20 0.42
ROCK2 O75116 1/20 0.42
PIM1 P11309 1/20 0.42
PRKACA P17612 1/20 0.42
FGFR3 P22607 1/20 0.42
GSK3A P49840 1/20 0.42
RPS6KA3 P51812 1/20 0.42
LIMK1 P53667 1/20 0.42
PRKCD Q05655 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
OPRD1 P41143 2/20 0.41
NLN Q9BYT8 1/20 0.41
NAMPT P43490 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL3146169 0.93 MASP2 (0.48) MASP2AKT1ROCK2PIM1PRKACA
Hydrochloric Acid SCHEMBL1902944 0.92 MASP2 (0.48) MASP2AKT1ROCK2PIM1PRKACA
Trifluoroacetic Acid SCHEMBL1906333 0.83 DRD2 (0.44) OPRK1AKT1ROCK2PIM1PRKACA
Trifluoroacetic Acid SCHEMBL1432755 0.83 MME (0.48) MASP2OPRD1
SCHEMBL3156487 0.83 MASP2 (0.47) MASP2NAMPT
SCHEMBL3154431 0.82 MASP2 (0.56) MASP2NLNNAMPT
SCHEMBL3155167 0.81 MASP2 (0.49) MASP2NLNNAMPT
Trifluoroacetic Acid SCHEMBL18787097 0.81 KMT2A (0.50) OPRK1OPRD1
Trifluoroacetic Acid SCHEMBL18787095 0.81 KMT2A (0.50) OPRK1OPRD1
SCHEMBL7860770 0.79 EGFR (0.53) AKT1ROCK2PIM1PRKACAFGFR3

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
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 EP disclosed
US-20100076015-A1 Aminopyridine Derivatives VANTIA LIMITED (GB) 2010-03-25 US disclosed
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO 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-20100076015-A1 Aminopyridine Derivatives CHRM1, ARG1, ARG2 MASP2 3039/4885OPRK1 161/4885AKT1 2296/4885

“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.