Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2978774

CC(C)N(c1cccc2cc(-c3ncc(CN4CCCC(C(=O)N5CCCC5)C4)s3)[nH]c12)S(=O)(=O)c1cccs1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADRB2 P07550 1/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 1/20 0.34
OGA O60502 1/20 0.34

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
SCHEMBL13203622 0.96 MAPT (0.45) MAPTPKMLMNATDP1ALDH1A1
Trifluoroacetic Acid SCHEMBL2978079 0.94 MAPT (0.44) MAPTPKMLMNATDP1ALDH1A1
Trifluoroacetic Acid SCHEMBL2660377 0.92 MAPT (0.43) MAPTPKMLMNATDP1ALDH1A1
Trifluoroacetic Acid SCHEMBL2661445 0.91 CNR2 (0.35) MAPTPKMLMNATDP1ALDH1A1
Trifluoroacetic Acid SCHEMBL2659979 0.91 SLC2A1 (0.32) LMNATDP1HPGD
Trifluoroacetic Acid SCHEMBL2968090 0.91 ALDH1A1 (0.45) LMNATDP1ALDH1A1KDM4EMAPK1
Trifluoroacetic Acid SCHEMBL2977949 0.91 HDAC1 (0.32) LMNATDP1HPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL2971002 0.91 MAPT (0.42) MAPTPKMLMNATDP1ALDH1A1
SCHEMBL13203284 0.89 MAPT (0.46) MAPTPKMLMNATDP1ALDH1A1
SCHEMBL2661414 0.89 ALDH1A1 (0.37) MAPTPKMLMNATDP1ALDH1A1

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 MAPT 4224/4885PKM 588/4885LMNA 4727/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885PKM 588/4885LMNA 4727/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 MAPT 4224/4885PKM 588/4885LMNA 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 MAPT 4496/4885PKM 260/4885LMNA 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.