Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6166754

COC(=O)[C@H](Cc1cccc(/C=N\N)c1)NC(=O)c1ccc(-c2cc(F)ccc2C#N)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 4/20 0.41
CTSS P25774 4/20 0.41
CTSK P43235 4/20 0.41
CTSL P07711 3/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK14 Q16539 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
ALDH1A1 P00352 2/20 0.39
F2 P00734 7/20 0.39
F10 P00742 7/20 0.39
PRSS1 P07477 7/20 0.39
PRSS2 P07478 5/20 0.39
PRSS3 P35030 5/20 0.39
CDK2 P24941 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
LMNA P02545 1/20 0.37

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 SCHEMBL6166758 1.00 CTSB (0.41) CTSBCTSSCTSKCTSLGAA
Trifluoroacetic Acid SCHEMBL6164344 0.92 CTSB (0.43) CTSBCTSSCTSKCTSLGAA
Trifluoroacetic Acid SCHEMBL6164351 0.92 CTSB (0.43) CTSBCTSSCTSKCTSLGAA
Trifluoroacetic Acid SCHEMBL6166755 0.86 F10 (0.54) F2F10PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6166135 0.82 F10 (0.49) GAARAB9AALDH1A1F2F10
Trifluoroacetic Acid SCHEMBL6165839 0.82 ALDH1A1 (0.44) GAARAB9ANOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL6165828 0.82 ALDH1A1 (0.44) GAARAB9ANOS3NOS1NOS2
Trifluoroacetic Acid SCHEMBL6166128 0.82 F10 (0.49) GAARAB9AALDH1A1F2F10
Trifluoroacetic Acid SCHEMBL6165348 0.80 F10 (0.41) CTSBCTSSCTSKCTSLGAA
Trifluoroacetic Acid SCHEMBL6165340 0.80 F10 (0.41) CTSBCTSSCTSKCTSLGAA

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
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-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO 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 CTSB 790/4885CTSS 354/4885CTSK 554/4885

“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.