Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL612344

O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cnccc2Oc2ccccc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.50
TSHR P16473 5/20 0.49
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
EPHX2 P34913 4/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44

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 SCHEMBL27664845 1.00 HSD11B1 (0.50) HSD11B1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL10123253 0.95 HSD11B1 (0.55) HSD11B1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL4010845 0.91 HSD11B1 (0.49) HSD11B1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL4010849 0.91 HSD11B1 (0.49) HSD11B1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL27684790 0.84 HSD11B1 (0.63) HSD11B1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL612865 0.84 HSD11B1 (0.63) HSD11B1TSHRKMT2ASMN1; SMN2POLB
Trifluoroacetic Acid SCHEMBL612338 0.82 TSHR (0.54) HSD11B1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL4009615 0.80 HSD11B1 (0.56) HSD11B1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL4009624 0.80 HSD11B1 (0.56) HSD11B1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL612098 0.77 HSD11B1 (0.53) HSD11B1TSHRKMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 US claimed
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP claimed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP claimed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 US claimed
US-8288417-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-10-16 US disclosed
US-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2012-02-16 US disclosed
US-8071624-B2 N-substituted piperidines and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-12-06 US disclosed
EP-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 EP disclosed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP disclosed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals INCYTE CORPORATION 2006-01-05 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 (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-20120040964-A1 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS HSD11B1, CYP11B1, HSD3B1 HSD11B1 1/4885TSHR 1143/4885KMT2A 2726/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 HSD11B1 1/4885TSHR 1444/4885KMT2A 3003/4885

“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.