Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4305915

NCCCCCCN1C(=O)c2cccc(NC(=O)c3ccc(Cl)s3)c2C1=O.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
ACHE P22303 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.40
HDAC1 Q13547 6/20 0.40
HDAC3 O15379 5/20 0.40
HDAC4 P56524 5/20 0.40
HDAC7 Q8WUI4 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC10 Q969S8 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC9 Q9UKV0 5/20 0.40
HDAC5 Q9UQL6 5/20 0.40
HEXA P06865 2/20 0.39
HEXB P07686 2/20 0.39
HPGD P15428 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NCOR2 Q9Y618 1/20 0.38

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 SCHEMBL4307259 0.99 ACHE (0.42) ACHEALDH1A1GAAPOLBHDAC1
SCHEMBL13950089 0.94 ALDH1A1 (0.46) ACHEALDH1A1GAAPOLBHDAC1
SCHEMBL4306024 0.84 GAA (0.44) ACHEALDH1A1GAAPOLBHPGD
SCHEMBL4309863 0.83 GAA (0.45) ACHEALDH1A1GAAPOLBHPGD
SCHEMBL4314316 0.82 ACHE (0.45) ACHEALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4307137 0.82 GAA (0.47) ACHEALDH1A1GAAPOLBHPGD
SCHEMBL5803055 0.81 ALDH1A1 (0.46) ACHEALDH1A1GAAPOLBHDAC1
Trifluoroacetic Acid SCHEMBL5781931 0.81 HDAC1 (0.41) ACHEALDH1A1GAAHDAC1HDAC4
SCHEMBL6218284 0.81 GAA (0.47) ACHEALDH1A1GAAPOLBHPGD
SCHEMBL5781216 0.81 ALDH1A1 (0.44) ACHEALDH1A1GAAPOLBHPGD

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
US-7482472-B2 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2009-01-27 US disclosed
US-20080039446-A1 Substituted isoindoles and their use BAYER HEALTHCARE AG (DE) 2008-02-14 US disclosed
US-7189738-B2 Substituted isoindoles and their use thereof BAYER HEALTHCARE AG (DE) 2007-03-13 US disclosed
EP-1414817-B1 substituted isoindoles and the use thereof BAYER HEALTHCARE AG (DE) 2005-04-06 EP disclosed
US-20040215019-A1 Substituted isoindoles and the e use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-10-28 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-20080039446-A1 Substituted isoindoles and their use F2, F12, TFPI2 ACHE 1206/4885ALDH1A1 346/4885GAA 1427/4885
US-20040215019-A1 Substituted isoindoles and the e use thereof F2, F12, F5 ACHE 1270/4885ALDH1A1 166/4885GAA 1835/4885

“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.