Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2970815

CCN(CC)Cc1cnc(-c2cc3cccc(N(CC4CC4)S(=O)(=O)c4cccs4)c3[nH]2)s1.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.34
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 1/20 0.30
GCK P35557 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
SCHEMBL13203467 0.94 MAPT (0.33) TAS2R14ALDH1A1LMNAGAATSHR
Trifluoroacetic Acid SCHEMBL2660502 0.92 TSHR (0.33) ALDH1A1LMNAGAATSHR
Trifluoroacetic Acid SCHEMBL2977669 0.92 TAS2R14 (0.32) TAS2R14LMNAGAATSHR
Trifluoroacetic Acid SCHEMBL2660750 0.89 TAS2R14 (0.32) TAS2R14
Trifluoroacetic Acid SCHEMBL2660322 0.89 NR1H3 (0.33) ALDH1A1LMNAGAATSHR
Trifluoroacetic Acid SCHEMBL2971850 0.89 F11 (0.32) TAS2R14ALDH1A1LMNAGAATSHR
Trifluoroacetic Acid SCHEMBL2968266 0.88 NR1H3 (0.33) TAS2R14
Trifluoroacetic Acid SCHEMBL2967136 0.88 TAS2R14 (0.32) TAS2R14LMNAGAATSHR
Trifluoroacetic Acid SCHEMBL2966322 0.88 TAS2R14 (0.32) TAS2R14LMNAGAATSHR
Trifluoroacetic Acid SCHEMBL2969892 0.87 ALDH1A1 (0.31) ALDH1A1LMNA

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 TAS2R14 3214/4885ALDH1A1 376/4885LMNA 4727/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 TAS2R14 3214/4885ALDH1A1 376/4885LMNA 4727/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 TAS2R14 3214/4885ALDH1A1 376/4885LMNA 4727/4885
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 TAS2R14 1541/4885ALDH1A1 296/4885LMNA 4653/4885

“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.