Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4535893

O=C(CNc1ccccc1)Nc1ccc(-c2ccncc2)cc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PORCN Q9H237 1/20 0.57
MGLL Q99685 2/20 0.51
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
ROCK2 O75116 7/20 0.49
ROCK1 Q13464 6/20 0.49
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL4518077 0.92 PORCN (0.64) PORCNMGLLALDH1A1RAB9AMEN1
Hydrochloric Acid SCHEMBL4522424 0.91 PORCN (0.63) PORCNMGLLALDH1A1RAB9AMEN1
SCHEMBL1561387 0.77 MAPT (0.70) MGLLALDH1A1RAB9AMEN1LMNA
SCHEMBL4631344 0.75 NOTUM (0.67) PORCNALDH1A1MEN1LMNAMAPT
Hydrochloric Acid SCHEMBL11858514 0.75 MAPT (0.68) MGLLALDH1A1RAB9AMEN1LMNA
SCHEMBL14605463 0.75 ROCK2 (0.67) PORCNMGLLALDH1A1LMNAMAPT
SCHEMBL403203 0.75 RAB9A (0.56) PORCNMGLLALDH1A1RAB9AMEN1
Trifluoroacetic Acid SCHEMBL29958833 0.74 BCHE (0.45) MEN1LMNAKMT2AROCK2GRK2
Hydrochloric Acid SCHEMBL15778253 0.74 ROCK2 (0.49) PORCNROCK2ROCK1HDAC1HDAC6
SCHEMBL4630900 0.73 NOTUM (0.48) PORCNALDH1A1ROCK2ROCK1SMN1; SMN2

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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 (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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA PORCN 4455/4885MGLL 2662/4885ALDH1A1 3985/4885

“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.