Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2660463

CCN(c1cccc2cc(-c3ncc(CN4CCCCC4)s3)[nH]c12)S(=O)(=O)c1cccs1.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.32
SLC2A1 P11166 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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 SCHEMBL2661305 0.99 SLC2A1 (0.32) HDAC1SLC2A1LMNAHPGDF2
SCHEMBL13203366 0.94 ALDH1A1 (0.32) HDAC1LMNAHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2661336 0.93 KDM4E (0.31) LMNASMN1; SMN2
SCHEMBL2668615 0.93 ALDH1A1 (0.33) HDAC1LMNAHPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2661161 0.93 GCK (0.31) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL2977362 0.93 DRD2 (0.31)
Trifluoroacetic Acid SCHEMBL2660264 0.92 LMNA (0.37) HDAC1SLC2A1LMNAHPGDF2
Trifluoroacetic Acid SCHEMBL2973940 0.92 CNR2 (0.35) SLC2A1LMNA
Trifluoroacetic Acid SCHEMBL2978766 0.92 LMNA (0.31) LMNAHPGD
Trifluoroacetic Acid SCHEMBL2977951 0.92 LMNA (0.36) HDAC1SLC2A1LMNAHPGDF2

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 HDAC1 146/4885SLC2A1 11/4885LMNA 4727/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 HDAC1 146/4885SLC2A1 11/4885LMNA 4727/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 HDAC1 146/4885SLC2A1 11/4885LMNA 4727/4885
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 HDAC1 85/4885SLC2A1 9/4885LMNA 4653/4885

“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.