Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL308773

N[C@H]1CCc2nc(NC(=O)OCc3ccccc3)sc2C1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
ROCK2 O75116 13/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41

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 SCHEMBL308772 1.00 MAPT (0.49) MAPTROCK2NPSR1HRH2HRH1
SCHEMBL6031607 0.94 MAPT (0.52) MAPTROCK2NPSR1SMN1; SMN2NPC1
SCHEMBL308041 0.79 MAPT (0.53) MAPTROCK2SMN1; SMN2NPC1ALDH1A1
SCHEMBL308040 0.79 MAPT (0.53) MAPTROCK2SMN1; SMN2NPC1ALDH1A1
SCHEMBL6032798 0.77 MAPT (0.47) MAPTROCK2SMN1; SMN2NPC1ALDH1A1
SCHEMBL307094 0.76 ROCK2 (0.54) ROCK2
SCHEMBL307095 0.76 ROCK2 (0.54) ROCK2
SCHEMBL2710946 0.75 MAPT (0.47) MAPTROCK2NPSR1SMN1; SMN2NPC1
SCHEMBL29209595 0.74 SMN1; SMN2 (0.50) MAPTNPSR1SMN1; SMN2NPC1ALDH1A1
SCHEMBL2711407 0.74 SMN1; SMN2 (0.50) MAPTROCK2SMN1; SMN2NPC1ALDH1A1

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-2114869-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-07-23 EP disclosed
US-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
EP-2114869-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2009-11-11 EP disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 MAPT 395/4885ROCK2 4/4885NPSR1 4307/4885

“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.