Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2660064

CN(c1cccc2cc(-c3ncc(CN4CCC(C)(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 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
OGA O60502 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.30
NR1H3 Q13133 1/20 0.30
CCR5 P51681 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13203259 0.94 LMNA (0.33) DRD2DRD4DRD3OGALMNA
Trifluoroacetic Acid SCHEMBL2966646 0.93 DRD2 (0.31) DRD2DRD4DRD3OGA
Trifluoroacetic Acid SCHEMBL2977362 0.93 DRD2 (0.31) DRD2DRD4DRD3OGA
Trifluoroacetic Acid SCHEMBL2977951 0.92 LMNA (0.36) LMNAHPGDALDH1A1NR1H3HTT
Trifluoroacetic Acid SCHEMBL2660264 0.92 LMNA (0.37) LMNAHPGDALDH1A1NR1H3HTT
Trifluoroacetic Acid SCHEMBL2977140 0.90 TAS2R14 (0.30)
Trifluoroacetic Acid SCHEMBL2976717 0.90 ALDH1A1 (0.32) LMNAHPGDALDH1A1MAPK1NR1H3
Trifluoroacetic Acid SCHEMBL2661064 0.90 GCK (0.32) OGALMNAHPGDALDH1A1NR1H3
SCHEMBL2975731 0.89 LMNA (0.32) LMNAHPGDALDH1A1HTTKMT2A
Trifluoroacetic Acid SCHEMBL2974101 0.89 LMNA (0.32) OGALMNAHPGDALDH1A1NR1H3

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 DRD2 1368/4885DRD4 1619/4885DRD3 1730/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 DRD2 1368/4885DRD4 1619/4885DRD3 1730/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 DRD2 1368/4885DRD4 1619/4885DRD3 1730/4885
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 DRD2 2221/4885DRD4 2415/4885DRD3 2071/4885

“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.