Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2659979

CC(C)N(c1cccc2cc(-c3ncc(CN4CCCC4)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 9)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.32
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
HDAC1 Q13547 1/20 0.31
GCK P35557 2/20 0.31
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 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 SCHEMBL2977949 0.99 HDAC1 (0.32) SLC2A1F2F10PRSS1HDAC1
SCHEMBL13203621 0.93 ALDH1A1 (0.33) HDAC1LMNAHPGDTDP1
Trifluoroacetic Acid SCHEMBL2976837 0.93 GCK (0.33) F2F10PRSS1GCK
Trifluoroacetic Acid SCHEMBL2660170 0.93 KDM4E (0.31) LMNA
Trifluoroacetic Acid SCHEMBL2977951 0.93 LMNA (0.36) SLC2A1F2F10PRSS1HDAC1
SCHEMBL2661724 0.93 ALDH1A1 (0.33) HDAC1LMNAHPGDTDP1
Trifluoroacetic Acid SCHEMBL2966646 0.93 DRD2 (0.31)
Trifluoroacetic Acid SCHEMBL2660264 0.92 LMNA (0.37) SLC2A1F2F10PRSS1HDAC1
Trifluoroacetic Acid SCHEMBL2661445 0.92 CNR2 (0.35) GCKLMNATDP1
Trifluoroacetic Acid SCHEMBL2973842 0.92 LMNA (0.34) F2F10PRSS1GCKLMNA

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 SLC2A1 11/4885F2 3253/4885F10 3433/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 SLC2A1 11/4885F2 3253/4885F10 3433/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 SLC2A1 11/4885F2 3253/4885F10 3433/4885
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 SLC2A1 9/4885F2 3743/4885F10 4249/4885

“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.