Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17825627

CCOC(=O)C(CN)c1ccc(OC)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
NR3C1 P04150 2/20 0.38
OXTR P30559 1/20 0.38
NNMT P40261 1/20 0.38
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 2/20 0.36
PABPC1 P11940 2/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
FFAR1 O14842 1/20 0.35
CHRNA7 P36544 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ACACB O00763 1/20 0.35
PIK3CA P42336 2/20 0.34
MTOR P42345 2/20 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
SCHEMBL3861139 0.92 NNMT (0.44) DPP4OXTRNNMTKMT2APOLB
SCHEMBL3861559 0.82 MAPT (0.48) ALDH1A1MAPTFFAR1CHRNA7ACACB
SCHEMBL7081682 0.81 NNMT (0.46) NR3C1OXTRNNMTKMT2APOLB
SCHEMBL7083560 0.80 NNMT (0.47) NR3C1OXTRNNMTKMT2APOLB
SCHEMBL7014236 0.80 NNMT (0.47) NR3C1OXTRNNMTKMT2APOLB
SCHEMBL7009204 0.79 NNMT (0.42) NR3C1OXTRNNMTKMT2APOLB
SCHEMBL7165235 0.77 NNMT (0.40) NR3C1OXTRNNMTKMT2APOLB
SCHEMBL7102184 0.77 KCNK3 (0.41) OXTRNNMTKMT2APOLBALDH1A1
SCHEMBL7102190 0.77 KCNK3 (0.41) OXTRNNMTKMT2APOLBALDH1A1
SCHEMBL23200563 0.76 NNMT (0.46) OXTRNNMTKMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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 (2 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 DPP4 991/4885NR3C1 4842/4885OXTR 2467/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 DPP4 991/4885NR3C1 4842/4885OXTR 2467/4885

“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.