Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6165839

COC(=O)[C@H](Cc1cccc(C=NN)c1)NC(=O)c1ccc(-c2ccccc2S(C)(=O)=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
F10 P00742 11/20 0.42
F2 P00734 8/20 0.42
PRSS1 P07477 8/20 0.42
PRSS2 P07478 5/20 0.42
PRSS3 P35030 5/20 0.42
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HPGDS O60760 2/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39

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 SCHEMBL6165828 1.00 ALDH1A1 (0.44) ALDH1A1GAARAB9AF10F2
Trifluoroacetic Acid SCHEMBL6166128 0.94 F10 (0.49) ALDH1A1GAARAB9AF10F2
Trifluoroacetic Acid SCHEMBL6166135 0.94 F10 (0.49) ALDH1A1GAARAB9AF10F2
Trifluoroacetic Acid SCHEMBL6167616 0.88 F10 (0.48) GAARAB9AF10F2PRSS1
Trifluoroacetic Acid SCHEMBL6167607 0.88 F10 (0.48) GAARAB9AF10F2PRSS1
Trifluoroacetic Acid SCHEMBL6164344 0.87 CTSB (0.43) ALDH1A1GAARAB9AF10F2
Trifluoroacetic Acid SCHEMBL6164351 0.87 CTSB (0.43) ALDH1A1GAARAB9AF10F2
Trifluoroacetic Acid SCHEMBL6165833 0.86 F10 (0.58) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6162418 0.86 F10 (0.51) F10F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6162400 0.86 F10 (0.51) F10F2PRSS1PRSS2PRSS3

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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US claimed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI ALDH1A1 1388/4885GAA 815/4885RAB9A 2909/4885

“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.