Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2963371

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=S(=O)(c1cccs1)N(CC1CC1)c1cccc2cc(-c3ncc(CN4CCC(c5ccccn5)CC4)s3)[nH]c12

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.32
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
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
SCHEMBL2668629 0.94 DRD4 (0.35) DRD4DRD2DRD3
Trifluoroacetic Acid SCHEMBL2660903 0.94 SLC2A1 (0.30)
Trifluoroacetic Acid SCHEMBL2967886 0.93 DRD4 (0.33) DRD4DRD2DRD3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2973365 0.92 TAS2R14 (0.30)
Trifluoroacetic Acid SCHEMBL2660765 0.92 TAS2R14 (0.30)
Trifluoroacetic Acid SCHEMBL2976463 0.92 DRD4 (0.34) DRD4DRD2DRD3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2660970 0.91 TAS2R14 (0.33)
Trifluoroacetic Acid SCHEMBL2660751 0.91 F2 (0.33)
Trifluoroacetic Acid SCHEMBL2660612 0.90 DRD4 (0.34) DRD4DRD2DRD3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2970887 0.90 TAS2R14 (0.31)

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