Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2661064

CN(c1cccc2cc(-c3ncc(CN4CCC(O)CC4)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 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.32
OGA O60502 6/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
OPRM1 P35372 1/20 0.31
ADORA2A P29274 1/20 0.31
NR1H3 Q13133 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
HTT P42858 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 SCHEMBL2660341 0.96 CYP2D6 (0.32) GCKOGAF2F10PRSS1
SCHEMBL13203295 0.94 OGA (0.33) GCKOGALMNAHPGDALDH1A1
Trifluoroacetic Acid SCHEMBL2659854 0.94 LMNA (0.33) GCKOGAF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2969488 0.93 CCR5 (0.33) GCKOGAF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2976837 0.93 GCK (0.33) GCKOGAF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2977951 0.93 LMNA (0.36) GCKF2F10PRSS1LMNA
Trifluoroacetic Acid SCHEMBL2977941 0.93 NPC1 (0.36) GCKOGAF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2661161 0.93 GCK (0.31) GCKOGAF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2660264 0.92 LMNA (0.37) GCKF2F10PRSS1LMNA
Trifluoroacetic Acid SCHEMBL2660381 0.92 CNR2 (0.36) GCKOGALMNAHPGDALDH1A1

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 GCK 4/4885OGA 606/4885F2 3253/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 GCK 4/4885OGA 606/4885F2 3253/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 GCK 4/4885OGA 606/4885F2 3253/4885
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 GCK 2/4885OGA 236/4885F2 3743/4885

“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.