Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2570197

CN(C)Cc1cccc(NC(=C2C(=O)Nc3cc(C(N)=O)ccc32)c2ccccc2)c1.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
ROCK2 O75116 3/20 0.42
MAP2K5 Q13163 1/20 0.38
MAPK7 Q13164 1/20 0.38
PTGES O14684 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
CHUK O15111 1/20 0.36
INSR P06213 1/20 0.36
MAPK8 P45983 1/20 0.36
CAMKK2 Q96RR4 1/20 0.36
DDR2 Q16832 1/20 0.35
F3 P13726 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
PARP1 P09874 2/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
CHIT1 Q13231 1/20 0.34
BACE1 P56817 1/20 0.34
SIRT2 Q8IXJ6 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 SCHEMBL2570194 1.00 ROCK2 (0.42) ROCK2MAP2K5MAPK7PTGESAURKA
SCHEMBL16685264 0.95 ROCK2 (0.46) ROCK2MAP2K5MAPK7PTGESAURKA
SCHEMBL29354347 0.95 ROCK2 (0.46) ROCK2MAP2K5MAPK7PTGESAURKA
SCHEMBL16685266 0.95 ROCK2 (0.46) ROCK2MAP2K5MAPK7PTGESAURKA
SCHEMBL16685268 0.95 ROCK2 (0.46) ROCK2MAP2K5MAPK7PTGESAURKA
Trifluoroacetic Acid SCHEMBL3143335 0.94 ACHE (0.38) ROCK2PTGESDDR2F3OPRM1
Trifluoroacetic Acid SCHEMBL3673011 0.94 ACHE (0.38) ROCK2PTGESDDR2F3OPRM1
Trifluoroacetic Acid SCHEMBL2571795 0.93 ROCK2 (0.36) ROCK2MAP2K5MAPK7PTGESDDR2
Trifluoroacetic Acid SCHEMBL2571789 0.93 ROCK2 (0.36) ROCK2MAP2K5MAPK7PTGESDDR2
Trifluoroacetic Acid SCHEMBL2571587 0.93 ROCK2 (0.35) ROCK2PTGESDDR2F3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2023-11-23 US disclosed
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2020-10-22 US disclosed
EP-3643309-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2020-04-29 EP disclosed
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES BOEHRINGER INGELHEIM INT (DE) 2019-02-07 US disclosed
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-12-18 US disclosed
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2016-05-19 US disclosed
EP-2878297-A1 Medicaments for the treatment or prevention of fibrotic diseases Boehringer Ingelheim International GmbH (DE) 2015-06-03 EP disclosed
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-02 US disclosed
EP-2384751-A1 Medicaments for the treatment or prevention of fibrotic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-09 EP disclosed
US-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 US disclosed
EP-1830843-A2 INDOLIDONE DERIVATIVES FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-12 EP disclosed
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 US disclosed
WO-2006067165-A2 INDOLIDONE DERIVATIVES FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 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 (8 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-20100204211-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 ROCK2 1648/4885MAP2K5 3191/4885MAPK7 3653/4885
US-20060142373-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases MMP1, COL1A1, FOXM1 ROCK2 1648/4885MAP2K5 3191/4885MAPK7 3653/4885
US-20200330435-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 ROCK2 1648/4885MAP2K5 3191/4885MAPK7 3653/4885
US-20160136133-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 ROCK2 1648/4885MAP2K5 3191/4885MAPK7 3653/4885
US-20230372297-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, SMAD3 ROCK2 1271/4885MAP2K5 3103/4885MAPK7 3681/4885
US-10154990-B2 Medicaments for the treatment or prevention of fibrotic diseases MMP1, COL1A1, FOXM1 ROCK2 1648/4885MAP2K5 3191/4885MAPK7 3653/4885
US-20140296217-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES MMP1, COL1A1, FOXM1 ROCK2 1648/4885MAP2K5 3191/4885MAPK7 3653/4885
US-20190038600-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DEISEASES MMP1, COL1A1, IDO1 ROCK2 1699/4885MAP2K5 3407/4885MAPK7 4112/4885

“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.