Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2963065

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

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
OXTR P30559 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
NPSR1 Q6W5P4 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 SCHEMBL2977454 0.94 TSHR (0.33) TSHRLMNAGAAOXTR
SCHEMBL13203392 0.94 TSHR (0.34) TSHRLMNAGAAOXTRKMT2A
Trifluoroacetic Acid SCHEMBL2974089 0.94 TSHR (0.32) TSHRLMNAGAAOXTRKMT2A
Trifluoroacetic Acid SCHEMBL2968726 0.92 TSHR (0.32) TSHRLMNAGAAKMT2A
Trifluoroacetic Acid SCHEMBL2660502 0.92 TSHR (0.33) TSHRLMNAGAAOXTR
Trifluoroacetic Acid SCHEMBL2977669 0.92 TAS2R14 (0.32) TSHRLMNAGAA
Trifluoroacetic Acid SCHEMBL2662054 0.91 LMNA (0.31) TSHRLMNAGAAOXTRKMT2A
Trifluoroacetic Acid SCHEMBL2660529 0.89 TSHR (0.32) TSHRLMNAGAA
Trifluoroacetic Acid SCHEMBL2968974 0.88 TSHR (0.32) TSHRLMNAGAA
SCHEMBL13203376 0.87 TSHR (0.33) TSHRLMNAGAAOXTRKMT2A

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 TSHR 857/4885LMNA 4727/4885GAA 598/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 TSHR 857/4885LMNA 4727/4885GAA 598/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 TSHR 857/4885LMNA 4727/4885GAA 598/4885
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 TSHR 580/4885LMNA 4653/4885GAA 723/4885

“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.