Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL186510

NCc1ccc(Nc2c(F)cccc2Cl)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.39
JAK3 P52333 8/20 0.39
JAK2 O60674 7/20 0.39
TYK2 P29597 3/20 0.39
ABCB11 O95342 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PPARG P37231 1/20 0.39
NR1I3 Q14994 1/20 0.39
MAPK8 P45983 2/20 0.38
MAPK9 P45984 2/20 0.38
MAPK10 P53779 2/20 0.38
CYP2C9 P11712 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPK14 Q16539 1/20 0.38
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
P2RX7 Q99572 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PAX8 Q06710 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
SCHEMBL185826 0.77 PTGS2 (0.41) JAK1JAK3JAK2PTGS2MAPK10
SCHEMBL2808168 0.75 NPC1 (0.39) JAK1JAK3JAK2TYK2ABCB11
SCHEMBL185867 0.74 JAK1 (0.37) JAK1JAK3TYK2
SCHEMBL2783012 0.74 JAK1 (0.39) JAK1JAK3JAK2TYK2MAPK8
Trifluoroacetic Acid SCHEMBL2811073 0.72 RAB9A (0.42) MAPK10PAX8
Trifluoroacetic Acid SCHEMBL186252 0.72 DHODH (0.40) CYP2C9PAX8
SCHEMBL185565 0.72 STK17A (0.34) MELK
SCHEMBL27589569 0.71 TAAR1 (0.43) ABCB11PTGS1PTGS2PPARGNR1I3
Trifluoroacetic Acid SCHEMBL2807624 0.68 MPO (0.38) PTGS1PTGS2MAPK8MAPK10PAX8
Trifluoroacetic Acid SCHEMBL186045 0.68 MAPT (0.41) CYP2C9MAPK14

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 6 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
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (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 JAK1 936/4885JAK3 2297/4885JAK2 1802/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 JAK1 936/4885JAK3 2297/4885JAK2 1802/4885

“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.