Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2392336

CC(=O)N[C@H]1C[C@H](Oc2cc(F)ccc2[N+](=O)[O-])C1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
IDO1 P14902 1/20 0.39
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
FAAH O00519 2/20 0.37
ACHE P22303 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
BCHE P06276 1/20 0.36
GPR6 P46095 3/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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 SCHEMBL2392333 1.00 ALDH1A1 (0.44) ALDH1A1MAPTIDO1HTTSMN1; SMN2
SCHEMBL2391244 0.94 ALDH1A1 (0.49) ALDH1A1MAPTIDO1HTTSMN1; SMN2
SCHEMBL2391245 0.94 ALDH1A1 (0.49) ALDH1A1MAPTIDO1HTTSMN1; SMN2
SCHEMBL2391139 0.86 ALDH1A1 (0.47) ALDH1A1MAPTIDO1HTTSMN1; SMN2
SCHEMBL16908826 0.86 ALDH1A1 (0.42) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL16908827 0.86 ALDH1A1 (0.42) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL14348239 0.84 ALDH1A1 (0.39) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL2369308 0.84 ALDH1A1 (0.39) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL2369305 0.84 ALDH1A1 (0.39) ALDH1A1MAPTHTTSMN1; SMN2MAPK1
SCHEMBL2379905 0.84 ALDH1A1 (0.48) ALDH1A1MAPTHTTSMN1; SMN2MAPK1

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-2539345-B1 4-[CYCLOALKYLOXY(HETERO)ARYLAMINO]-THIENO[2,3-D]PYRIMIDINES HAVING MNK1/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2015-07-22 EP disclosed
US-8754079-B2 Cycloalkyl containing thienopyrimidines for pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 US disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 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-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS DTYMK, CMPK1, UCK2 ALDH1A1 4123/4885MAPT 2378/4885IDO1 3140/4885

“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.