Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6792862

O=C(O)C(F)(F)F.O=C1CNCCN1Cc1ccc2ccccc2c1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.45
KMT2A Q03164 2/20 0.43
SLC6A4 P31645 2/20 0.42
HDAC1 Q13547 1/20 0.42
FAAH O00519 1/20 0.41
MEN1 O00255 1/20 0.41
OPRL1 P41146 1/20 0.40
SLC13A5 Q86YT5 1/20 0.40
HTR3A P46098 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
MCHR1 Q99705 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL7996148 0.89 SLC6A4 (0.51) MMP13KMT2ASLC6A4HDAC1OPRL1
SCHEMBL30803034 0.89 SLC6A4 (0.51) MMP13KMT2ASLC6A4HDAC1OPRL1
Trifluoroacetic Acid SCHEMBL28701154 0.86 L3MBTL1 (0.46) KMT2AMEN1SIGMAR1PKM
Trifluoroacetic Acid SCHEMBL4386152 0.83 SCN9A (0.40) MCHR1
Trifluoroacetic Acid SCHEMBL4142583 0.82 ALDH1A1 (0.51) MMP13SLC6A4HDAC1
Trifluoroacetic Acid SCHEMBL4397854 0.78 F10 (0.46)
Trifluoroacetic Acid SCHEMBL4061499 0.77 ITGB3 (0.42)
Trifluoroacetic Acid SCHEMBL27526745 0.77 ITGB3 (0.42)
SCHEMBL92331 0.75 L3MBTL1 (0.56) KMT2AMEN1SIGMAR1
Bromide SCHEMBL28426487 0.74 L3MBTL1 (0.54) KMT2AMEN1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730672-B2 PROTEASE INHIBITOR ZENECA LIMITED (GB) 2004-05-04 US disclosed
US-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED 2002-08-29 US disclosed
US-6225309-B1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LIMITED (GB) 2001-05-01 US disclosed
US-5965559-A STRONG INHIBITORY EFFECT AGAINST THE ACTIVATED COAGULATION PROTEASE KNOWN AS FACTOR XA; PREVENTION OF THE CLEAVAGE OF PROTHROMBIN TO THROMBIN; AMINO-SUBSTITUTED PYRIMIDINES AMIDINE GROUP-FREE ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0783500-B1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LTD (GB) 1998-07-22 EP disclosed
CN-1164232-A Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents ZENECA LTD (GB) 1997-11-05 CN disclosed
EP-0783500-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1997-07-16 EP disclosed
WO-1996010022-A1 AMINOHETEROCYCLIC DERIVATIVES AS ANTITHROMBOTIC OR ANTICOAGULANT AGENTS ZENECA LIMITED (GB) 1996-04-04 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-20020119968-A1 Aminoheterocyclic derivatives as antithrombotic or anticoagulant agents SERPINC1, F2, SULT1E1 MMP13 2257/4885KMT2A 1699/4885SLC6A4 4160/4885

“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.