Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4929591

COc1cccc(-c2n[nH]c3ncnc(N4CCN(c5cc(Cl)ccc5C)CC4)c23)c1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 8/20 0.50
LIMK2 P53671 2/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 1/20 0.42
KIT P10721 4/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
LRRK2 Q5S007 1/20 0.42

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
SCHEMBL1792276 0.92 RPS6KB1 (0.56) RPS6KB1LIMK2MAPTTP53KIT
SCHEMBL4932503 0.84 RPS6KB1 (0.54) RPS6KB1MAPTTP53STK4STK3
Hydrochloric Acid SCHEMBL4932382 0.83 RPS6KB1 (0.53) RPS6KB1MAPTTP53STK4STK3
Trifluoroacetic Acid SCHEMBL4922031 0.83 RPS6KB1 (0.51) RPS6KB1MAPTTP53KIT
SCHEMBL1793033 0.83 RPS6KB1 (0.51) RPS6KB1MAPTTP53
SCHEMBL1788672 0.83 RPS6KB1 (0.58) RPS6KB1MAPTTP53
SCHEMBL1792457 0.83 RPS6KB1 (0.62) RPS6KB1MAPTTP53KITSTK4
Hydrochloric Acid SCHEMBL4931091 0.82 RPS6KB1 (0.51) RPS6KB1MAPTTP53
SCHEMBL2296396 0.82 RPS6KB1 (0.57) RPS6KB1MAPTTP53STK4STK3
Hydrochloric Acid SCHEMBL4922679 0.82 RPS6KB1 (0.57) RPS6KB1MAPTTP53

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 13/4885LIMK2 589/4885MAPT 4051/4885

“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.