Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1270844

CN(C[C@@H]1COCCO1)S(N)(=O)=O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
CA2 P00918 1/20 0.38
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
ATM Q13315 1/20 0.31
MAPT P10636 1/20 0.31
MET P08581 2/20 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
SCHEMBL1270845 0.87 CA2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2447306 0.87 CA2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1270741 0.75 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1270429 0.75 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3951775 0.74 MET (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3949985 0.74 MET (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15948910 0.74 CHRM2 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15946939 0.73 CHRM2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3950824 0.70 CHRM2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3949962 0.70 CHRM2 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
EP-1896422-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2011-08-17 EP disclosed
US-7893081-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2011-02-22 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-20090182002-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-07-16 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 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 (3 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-20090182002-A1 Tyrosine kinase inhibitors JAK1, JAK2, LCK PSEN1 2310/4885PSEN2 3208/4885APH1B 3893/4885
US-20060293358-A1 Tyrosine kinase inhibitors ABL1, ERBB2, RET PSEN1 1932/4885PSEN2 2039/4885APH1B 3650/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 PSEN1 2290/4885PSEN2 2344/4885APH1B 2729/4885

“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.