Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2969488

CN(c1cccc2cc(-c3ncc(CN4CCC(CCO)CC4)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 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.33
LMNA P02545 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTR1A P08908 2/20 0.32
DRD3 P35462 2/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
OGA O60502 2/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
GCK P35557 2/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 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
SCHEMBL13203306 0.95 HTR1A (0.34) CCR5LMNAHPGDALDH1A1HTR1A
Trifluoroacetic Acid SCHEMBL2973842 0.93 LMNA (0.34) CCR5LMNAALDH1A1OGAF2
Trifluoroacetic Acid SCHEMBL2661064 0.93 GCK (0.32) LMNAHPGDALDH1A1OGAF2
Trifluoroacetic Acid SCHEMBL2977701 0.93 LMNA (0.31) CCR5LMNAHTR1ADRD3DRD2
Trifluoroacetic Acid SCHEMBL2659854 0.93 LMNA (0.33) LMNAHPGDALDH1A1OGAF2
Trifluoroacetic Acid SCHEMBL2977951 0.92 LMNA (0.36) LMNAHPGDALDH1A1F2F10
Trifluoroacetic Acid SCHEMBL2970887 0.92 TAS2R14 (0.31) LMNAF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2977941 0.91 NPC1 (0.36) LMNAALDH1A1OGAF2F10
Trifluoroacetic Acid SCHEMBL2660264 0.91 LMNA (0.37) LMNAHPGDALDH1A1F2F10
Trifluoroacetic Acid SCHEMBL2660341 0.91 CYP2D6 (0.32) CCR5LMNAHPGDALDH1A1OGA

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 9 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
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 CCR5 3272/4885LMNA 4727/4885HPGD 1786/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 CCR5 3272/4885LMNA 4727/4885HPGD 1786/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 CCR5 3272/4885LMNA 4727/4885HPGD 1786/4885
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 CCR5 4154/4885LMNA 4653/4885HPGD 1947/4885

“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.