Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2370294

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

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.38
ACHE P22303 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR6 P46095 5/20 0.35
BCHE P06276 1/20 0.35
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33

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 SCHEMBL2369308 0.92 ALDH1A1 (0.39) FAAHACHEALDH1A1MAPTTDP1
Trifluoroacetic Acid SCHEMBL2369305 0.92 ALDH1A1 (0.39) FAAHACHEALDH1A1MAPTTDP1
SCHEMBL12256912 0.91 TDP1 (0.43) FAAHACHEALDH1A1MAPTTDP1
Trifluoroacetic Acid SCHEMBL2388889 0.86 FAAH (0.40) FAAHACHEALDH1A1MAPTTDP1
Trifluoroacetic Acid SCHEMBL14348239 0.84 ALDH1A1 (0.39) FAAHACHEALDH1A1MAPTTDP1
SCHEMBL12256680 0.84 TDP1 (0.45) FAAHACHEALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL2370173 0.82 TDP1 (0.44) FAAHACHEALDH1A1MAPTTDP1
Hydrochloric Acid SCHEMBL2370171 0.82 TDP1 (0.44) FAAHACHEALDH1A1MAPTTDP1
SCHEMBL2378078 0.82 TDP1 (0.46) FAAHACHEALDH1A1MAPTTDP1
SCHEMBL2378079 0.82 TDP1 (0.46) FAAHACHEALDH1A1MAPTTDP1

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 FAAH 4705/4885ACHE 4289/4885ALDH1A1 4123/4885

“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.