Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2977951

CN(c1cccc2cc(-c3ncc(CN4CCCC4)s3)[nH]c12)S(=O)(=O)c1cccs1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
SLC2A1 P11166 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NR1H3 Q13133 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
HDAC1 Q13547 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
USP2 O75604 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
GCK P35557 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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 SCHEMBL2660264 0.99 LMNA (0.37) LMNAHPGDSLC2A1ALDH1A1NR1H3
SCHEMBL2659452 0.93 HPGD (0.37) LMNAHPGDALDH1A1HDAC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2661064 0.93 GCK (0.32) LMNAHPGDALDH1A1NR1H3F2
Trifluoroacetic Acid SCHEMBL2976717 0.93 ALDH1A1 (0.32) LMNAHPGDALDH1A1NR1H3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2659979 0.93 SLC2A1 (0.32) LMNAHPGDSLC2A1F2F10
SCHEMBL13203291 0.93 HPGD (0.38) LMNAHPGDALDH1A1HDAC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2974101 0.92 LMNA (0.32) LMNAHPGDALDH1A1NR1H3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2660064 0.92 DRD2 (0.32) LMNAHPGDALDH1A1NR1H3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2659854 0.92 LMNA (0.33) LMNAHPGDALDH1A1NR1H3F2
Trifluoroacetic Acid SCHEMBL2661305 0.92 SLC2A1 (0.32) LMNAHPGDSLC2A1F2F10

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 10 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
CN-101573357-B Indole compound TAKAEDA CHEMICAL IND LTD 2013-01-23 CN 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 LMNA 4727/4885HPGD 1786/4885SLC2A1 11/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 LMNA 4727/4885HPGD 1786/4885SLC2A1 11/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 LMNA 4727/4885HPGD 1786/4885SLC2A1 11/4885
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 LMNA 4653/4885HPGD 1947/4885SLC2A1 9/4885

“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.