Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2968988

CC(C)N(c1cccc2cc(-c3ncc(CN4CCC(C(C)(C)C)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 6)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.32
OGA O60502 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
F10 P00742 3/20 0.31
F2 P00734 1/20 0.31
PRSS1 P07477 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
SCHEMBL13203613 0.95 CASP3 (0.31) OGAF10
Trifluoroacetic Acid SCHEMBL2659854 0.94 LMNA (0.33) GCKOGASMN1; SMN2F10F2
Trifluoroacetic Acid SCHEMBL2976837 0.93 GCK (0.33) GCKOGASMN1; SMN2F10F2
Trifluoroacetic Acid SCHEMBL2973842 0.92 LMNA (0.34) GCKOGASMN1; SMN2F10F2
Trifluoroacetic Acid SCHEMBL2659979 0.92 SLC2A1 (0.32) GCKF10F2PRSS1
Trifluoroacetic Acid SCHEMBL2660744 0.92 OGA (0.31) GCKOGAF10F2PRSS1
Trifluoroacetic Acid SCHEMBL2963156 0.92 NPC1 (0.35) GCKOGASMN1; SMN2F10F2
Trifluoroacetic Acid SCHEMBL2977949 0.91 HDAC1 (0.32) GCKSMN1; SMN2F10F2PRSS1
Trifluoroacetic Acid SCHEMBL2975646 0.91 GCK (0.32) GCKF10
Trifluoroacetic Acid SCHEMBL2660008 0.91 TAS2R14 (0.31) OGAF10F2PRSS1

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 GCK 4/4885OGA 606/4885SMN1; SMN2 4708/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 GCK 4/4885OGA 606/4885SMN1; SMN2 4708/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 GCK 4/4885OGA 606/4885SMN1; SMN2 4708/4885
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 236/4885SMN1; SMN2 4181/4885

“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.