Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2969892

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

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
SLC2A1 P11166 1/20 0.31
NR1H3 Q13133 1/20 0.30
BCHE P06276 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PKM P14618 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL13203617 0.93 ALDH1A1 (0.33) ALDH1A1BCHEUSP2LMNAMAPT
Trifluoroacetic Acid SCHEMBL2660322 0.93 NR1H3 (0.33) ALDH1A1SLC2A1NR1H3BCHELMNA
Trifluoroacetic Acid SCHEMBL2660502 0.92 TSHR (0.33) ALDH1A1SLC2A1NR1H3BCHELMNA
Trifluoroacetic Acid SCHEMBL2662054 0.91 LMNA (0.31) LMNAKMT2A
Trifluoroacetic Acid SCHEMBL2967095 0.88
Trifluoroacetic Acid SCHEMBL2972516 0.88 MEN1 (0.32) ALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL2971534 0.87 NTRK1 (0.33) MAPTALOX12KMT2A
Trifluoroacetic Acid SCHEMBL2978102 0.87 LMNA (0.30) LMNAKMT2A
Trifluoroacetic Acid SCHEMBL2970815 0.87 TAS2R14 (0.34) ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL2660529 0.87 TSHR (0.32) LMNA

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 ALDH1A1 376/4885SLC2A1 11/4885NR1H3 2593/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 ALDH1A1 376/4885SLC2A1 11/4885NR1H3 2593/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 ALDH1A1 376/4885SLC2A1 11/4885NR1H3 2593/4885
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 ALDH1A1 296/4885SLC2A1 9/4885NR1H3 3427/4885

“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.