Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14974697

COC(=O)c1cccc2c(N[C@@H](c3ccc(OC(F)(F)F)c(Cl)c3)C(C)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc(C)nc12.O=C(O)C(F)(F)F

nearest known ligand 0.34

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
MAPT P10636 5/20 0.32
AKT1 P31749 3/20 0.32
ALDH1A1 P00352 2/20 0.32
PDE2A O00408 1/20 0.32
RPS6KB1 P23443 2/20 0.32
AURKA O14965 1/20 0.32
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
SOS1 Q07889 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.30
GAA P10253 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 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
Trifluoroacetic Acid SCHEMBL12467202 0.96 AKT1 (0.33) MAPTAKT1ALDH1A1PDE2ARPS6KB1
SCHEMBL12467199 0.78 AKT1 (0.32) MAPTAKT1RPS6KB1AURKAHTT
Trifluoroacetic Acid SCHEMBL12467197 0.75 MRGPRX4 (0.33) MAPTHTTLMNAGAA
SCHEMBL527124 0.72 RPS6KB1 (0.40) LPAR1LPAR2MAPTAKT1ALDH1A1
SCHEMBL27896112 0.68 RPS6KB1 (0.49) AKT1RPS6KB1AURKAAURKBINCENP
SCHEMBL527876 0.67 RPS6KB1 (0.43) AKT1RPS6KB1AURKAAURKBINCENP
SCHEMBL14974538 0.66 RPS6KB1 (0.47) AKT1RPS6KB1AURKAAURKBINCENP
SCHEMBL14974384 0.66 RPS6KB1 (0.59) AKT1RPS6KB1AURKAAURKBINCENP
SCHEMBL14974383 0.66 RPS6KB1 (0.59) AKT1RPS6KB1AURKAAURKBINCENP
SCHEMBL28946954 0.64 AKT1 (0.40) MAPTAKT1RPS6KB1AURKAAURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598492-B1 BICYCLIC AZAHETEROCYCLIC CARBOXAMIDES AS INHIBITORS OF THE KINASE P70S6K MERCK PATENT GMBH (DE) 2015-10-28 EP disclosed
US-8710044-B2 Bicyclic azaheterocyclic carboxamides MERCK PATENT GMBH (DE) 2014-04-29 US disclosed
US-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides MERCK PATENT GMBH (DE) 2013-05-30 US 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-20130137677-A1 Bicyclic Azaheterocyclic Carboxamides CCNI, CCNA1, CCNA2 POLB 312/4885LPAR1 2982/4885LPAR2 2390/4885

“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.