Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL612338

O=C(NC1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccc(Oc3ccncc3)c2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
KMT2A Q03164 2/20 0.52
RAB9A P51151 1/20 0.51
EPHX2 P34913 5/20 0.49
HSD11B1 P28845 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL4961459 0.94 TSHR (0.60) TSHRKMT2ARAB9AEPHX2HSD11B1
SCHEMBL613333 0.89 TSHR (0.64) TSHRKMT2ARAB9AEPHX2HSD11B1
SCHEMBL28765395 0.89 TSHR (0.64) TSHRKMT2ARAB9AEPHX2HSD11B1
SCHEMBL4005207 0.84 EPHX2 (0.59) TSHRKMT2ARAB9AEPHX2HSD11B1
SCHEMBL4005216 0.84 EPHX2 (0.59) TSHRKMT2ARAB9AEPHX2HSD11B1
SCHEMBL609814 0.84 TSHR (0.62) TSHRKMT2ARAB9AEPHX2HSD11B1
SCHEMBL612064 0.84 TSHR (0.62) TSHRKMT2ARAB9AEPHX2HSD11B1
Trifluoroacetic Acid SCHEMBL27664845 0.82 HSD11B1 (0.50) TSHRKMT2AEPHX2HSD11B1MEN1
Trifluoroacetic Acid SCHEMBL612344 0.82 HSD11B1 (0.50) TSHRKMT2AEPHX2HSD11B1MEN1
SCHEMBL612159 0.82 TSHR (0.54) TSHRKMT2ARAB9AEPHX2MEN1

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 9 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
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 TSHR 1143/4885KMT2A 2726/4885RAB9A 2691/4885
US-20060004049-A1 N-substituted piperidines and their use as pharrmaceuticals HSD11B1, HSD3B1, HSD11B2 TSHR 1444/4885KMT2A 3003/4885RAB9A 2077/4885

“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.