Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1920904

NC1CCN(CC(c2ccccc2)c2ccccc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.47
DPP7 Q9UHL4 4/20 0.47
F2 P00734 4/20 0.44
PRSS1 P07477 4/20 0.44
CACNA1B Q00975 2/20 0.43
DPP8 Q6V1X1 3/20 0.43
DPP9 Q86TI2 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNA3 P22001 1/20 0.41
OPRM1 P35372 1/20 0.41

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
SCHEMBL9595556 0.87 KCNA3 (0.47) MEN1KMT2AKCNA3OPRM1
Trifluoroacetic Acid SCHEMBL5858602 0.86 KCNA3 (0.59) DPP4DPP7KCNA3OPRM1
Trifluoroacetic Acid SCHEMBL6703418 0.83 KCNA3 (0.55) DPP4DPP7KCNA3OPRM1
Trifluoroacetic Acid SCHEMBL5857174 0.81 SLC6A2 (0.53) DPP4DPP7SLC6A2SLC6A4SLC6A3
Trifluoroacetic Acid SCHEMBL16114304 0.78 PIK3CD (0.42) DPP4DPP7DPP8DPP9
SCHEMBL6079642 0.77 KCNA3 (0.53) CACNA1BMEN1KMT2AKCNA3
SCHEMBL6079635 0.77 KCNA3 (0.53) CACNA1BMEN1KMT2AKCNA3
SCHEMBL6080224 0.77 KCNA3 (0.53) CACNA1BMEN1KMT2AKCNA3
SCHEMBL24433074 0.76 L3MBTL1 (0.51) KCNA3
SCHEMBL4324168 0.76 MEN1 (0.66) MEN1KMT2AOPRM1

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
EP-1622914-B1 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS TROVIS PHARMACEUTICALS LLC (US) 2011-06-01 EP disclosed
US-7030240-B2 5-HT receptor antagonist; [1-(2-Fluoro-benzyl)-piperidin-4-yl]-(5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-amine; treating vascular disorders, angina, migraine, pulmonary hypertension and systemic hypertension PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2006-04-18 US disclosed
US-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds TROVIS PHARMACEUTICALS, LLC 2004-12-09 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 (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-20040248904-A1 New piperidinylamino-thieno[2,3-d] pyrimidine compounds HTR5A, HTR2C, HTR1A DPP4 590/4885DPP7 408/4885F2 1066/4885

“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.