Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4484950

CCNC(=O)N1CC[C@@H](NCc2cc(C)cc(C)c2)[C@@H](C(c2ccc(F)cc2)c2ccc(F)cc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.44
DPP7 Q9UHL4 11/20 0.44
FAAH O00519 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
MTOR P42345 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP9 Q86TI2 2/20 0.41
TACR1 P25103 4/20 0.41
DPP8 Q6V1X1 8/20 0.40
KCNH2 Q12809 1/20 0.40
KCNK3 O14649 1/20 0.37

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 SCHEMBL4484957 1.00 DPP4 (0.44) DPP4DPP7FAAHCYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL6381459 0.85 DPP7 (0.39) DPP4DPP7DPP9DPP8KCNH2
Trifluoroacetic Acid SCHEMBL6381462 0.85 DPP7 (0.39) DPP4DPP7DPP9DPP8KCNH2
SCHEMBL4483103 0.73 CTSK (0.46) DPP4DPP7FAAHCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL4480328 0.70 KMT2A (0.59) DPP4DPP7FAAHCYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5943207 0.68 SMN1; SMN2 (0.54) DPP4DPP7FAAHCYP3A4CYP2D6
SCHEMBL26330809 0.64 ALDH1A1 (0.52) TSHRMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL10936662 0.61 KMT2A (0.62) FAAHCYP3A4CYP2D6TSHRALOX12
SCHEMBL14412954 0.61 EPHX2 (0.62) FAAHCYP3A4CYP2D6TSHRALOX12
SCHEMBL5943227 0.61 ALDH1A1 (0.46) FAAHCYP3A4CYP2D6TSHRALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20060167052-A1 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060167052-A1 Piperidine derivative, process for producing the same, and use OPRL1, OXTR, OPRM1 DPP4 3999/4885DPP7 3767/4885FAAH 447/4885

“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.