Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2660941

CCOCCN(c1cccc2cc(-c3ncc(CN4CCCC(O)C4)s3)[nH]c12)S(=O)(=O)c1cccs1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 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 SCHEMBL2659361 0.96 FGFR1 (0.31)
SCHEMBL13203671 0.95 ALDH1A1 (0.33) CNR2ALDH1A1KDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL12971224 0.94 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2APOLB
Trifluoroacetic Acid SCHEMBL2659270 0.93 GCK (0.31)
Trifluoroacetic Acid SCHEMBL2963455 0.93
Trifluoroacetic Acid SCHEMBL2978766 0.92 LMNA (0.31)
Trifluoroacetic Acid SCHEMBL2973940 0.92 CNR2 (0.35) CNR2ALDH1A1KDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2977776 0.92 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2A
Trifluoroacetic Acid SCHEMBL2976995 0.92 MAPT (0.40) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL13203678 0.92 FGFR1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 US disclosed
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 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 (4 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 CNR2 1447/4885ALDH1A1 376/4885KDM4E 1017/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 CNR2 1447/4885ALDH1A1 376/4885KDM4E 1017/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 CNR2 1447/4885ALDH1A1 376/4885KDM4E 1017/4885
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example GCKR, GCK, KHK CNR2 2171/4885ALDH1A1 296/4885KDM4E 1347/4885

“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.