Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3053173

COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5/C=C/CCCCN(N)C(=O)C4C3)cc(-c3ccccc3)nc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.84
▸ CTSS P25774 1/20 0.56
▸ ADRB3 P13945 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPR6 P46095 6/20 0.32
▸ TACR3 P29371 1/20 0.30
▸ TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL13413197 0.97 CTSB (0.89) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13248866 0.97 CTSB (0.89) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8285124 0.91 CTSB (1.00) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13385475 0.90 CTSB (0.88) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL13248865 0.88 CTSB (0.82) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL3052431 0.88 CTSB (0.82) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8286038 0.88 CTSB (0.83) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8284369 0.87 CTSB (0.72) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL8248104 0.82 CTSB (0.82) CTSBCTSSADRB3ADRA2BADRA2C
SCHEMBL15641017 0.81 CTSB (0.69) CTSBCTSSADRB3ADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671032-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2010-03-02 — — US disclosed
US-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors MEDIVIR AB (SE) 2007-08-30 — — US disclosed
EP-1713823-A2 HCV NS-3 SERINE PROTEASE INHIBITORS Medivir Aktiebolag (SE) 2006-10-25 — — EP disclosed
WO-2005073195-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 — — 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-20070203072-A1 Hcv Ns-3 Serine Protease Inhibitors HPN, CPN1, PRSS1 CTSB 126/4885CTSS 69/4885ADRB3 4075/4885

“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.

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