Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4928985

Cc1ccc(Cl)cc1N1CCN(c2ncnc3[nH]nc(/C=C/C(=O)O)c23)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.55
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.46
LMNA P02545 3/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 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 SCHEMBL4928998 1.00 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNATHRB
SCHEMBL1790919 0.96 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNATHRB
SCHEMBL1790912 0.96 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNATHRB
SCHEMBL4928994 0.89 RPS6KB1 (0.52) RPS6KB1MAPTTP53LMNATHRB
Trifluoroacetic Acid SCHEMBL4922202 0.88 RPS6KB1 (0.53) RPS6KB1MAPTTP53LMNATHRB
SCHEMBL1793293 0.86 RPS6KB1 (0.55) RPS6KB1MAPTTP53LMNATHRB
Trifluoroacetic Acid SCHEMBL4932722 0.86 RPS6KB1 (0.51) RPS6KB1MAPTTP53LMNATHRB
Trifluoroacetic Acid SCHEMBL4932731 0.86 RPS6KB1 (0.51) RPS6KB1MAPTTP53LMNATHRB
Trifluoroacetic Acid SCHEMBL4921822 0.84 RPS6KB1 (0.57) RPS6KB1MAPTTP53LMNAUSP2
Trifluoroacetic Acid SCHEMBL4930335 0.84 RPS6KB1 (0.49) RPS6KB1MAPTTP53LMNATHRB

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-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 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-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 RPS6KB1 13/4885MAPT 4051/4885TP53 740/4885

“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.