Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2807624

NCc1ccc(Nc2ccc(Br)cc2C(F)(F)F)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.38
TAS2R14 Q9NYV8 3/20 0.36
CNR2 P34972 1/20 0.36
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
KIT P10721 1/20 0.35
FLT3 P36888 1/20 0.35
DHODH Q02127 4/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
OPRM1 P35372 1/20 0.33
PAX8 Q06710 1/20 0.33
PTK2 Q05397 2/20 0.33
S1PR4 O95977 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL186066 0.92 OPRM1 (0.37) MPOCNR2EGFRKDRKIT
Trifluoroacetic Acid SCHEMBL186045 0.87 MAPT (0.41) MPOEGFRDHODH
Trifluoroacetic Acid SCHEMBL2811073 0.87 RAB9A (0.42) MPOCNR2DHODHMAPK10PAX8
Trifluoroacetic Acid SCHEMBL185821 0.86 FLT3 (0.49) MPOTAS2R14CNR2EGFRKDR
Trifluoroacetic Acid SCHEMBL2807127 0.86 FLT3 (0.49) MPOTAS2R14CNR2EGFRKDR
Trifluoroacetic Acid SCHEMBL14856648 0.83 FLT3 (0.38) MPOCNR2EGFRKDRKIT
Trifluoroacetic Acid SCHEMBL2813582 0.83 CNR2 (0.39) MPOTAS2R14CNR2EGFRKDR
Trifluoroacetic Acid SCHEMBL185819 0.83 MPO (0.36) MPOTAS2R14CNR2EGFRKDR
SCHEMBL2807621 0.83 CNR2 (0.40) MPOTAS2R14CNR2EGFRKDR
Trifluoroacetic Acid SCHEMBL186252 0.80 DHODH (0.40) MPODHODHPAX8LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MPO 1362/4885TAS2R14 477/4885CNR2 882/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 MPO 1362/4885TAS2R14 477/4885CNR2 882/4885

“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.