Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2369308

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

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
FAAH O00519 2/20 0.38
ACHE P22303 2/20 0.38
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BCHE P06276 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR6 P46095 1/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.34
CASP6 P55212 1/20 0.34
HSPB1 P04792 1/20 0.34
PKM P14618 1/20 0.34

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 SCHEMBL2369305 1.00 ALDH1A1 (0.39) ALDH1A1MAPTTDP1ATMFAAH
Trifluoroacetic Acid SCHEMBL2370294 0.92 FAAH (0.38) ALDH1A1MAPTTDP1ATMFAAH
SCHEMBL2378078 0.90 TDP1 (0.46) ALDH1A1MAPTTDP1ATMFAAH
SCHEMBL2378079 0.90 TDP1 (0.46) ALDH1A1MAPTTDP1ATMFAAH
Trifluoroacetic Acid SCHEMBL2392333 0.84 ALDH1A1 (0.44) ALDH1A1MAPTTDP1FAAHACHE
Trifluoroacetic Acid SCHEMBL2392336 0.84 ALDH1A1 (0.44) ALDH1A1MAPTTDP1FAAHACHE
Trifluoroacetic Acid SCHEMBL2388889 0.83 FAAH (0.40) ALDH1A1MAPTTDP1ATMFAAH
SCHEMBL12256912 0.82 TDP1 (0.43) ALDH1A1MAPTTDP1ATMFAAH
Trifluoroacetic Acid SCHEMBL14348239 0.81 ALDH1A1 (0.39) ALDH1A1MAPTTDP1FAAHACHE
SCHEMBL25342735 0.80 TDP1 (0.46) ALDH1A1MAPTTDP1ATMFAAH

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 5 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
EP-2539345-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO]THIENO [2, 3 - D]PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-02 EP disclosed
US-20110217311-A1 CYCLOALKYL CONTAINING THIENOPYRIMIDINES FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-08 US disclosed
WO-2011104334-A1 4 - [CYCLOALKYLOXY (HETERO) ARYLAMINO] THIENO [2, 3 - D] PYRIMIDINES HAVING MNKL/ MNK2 INHIBITING ACTIVITY FOR PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-09-01 WO 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 2378/4885TDP1 508/4885

“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.