Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2660170

CCS(=O)(=O)N1CCN(Cc2cnc(-c3cc4cccc(N(C(C)C)S(=O)(=O)c5cccs5)c4[nH]3)s2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
NPSR1 Q6W5P4 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 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
SCHEMBL13203640 0.94 SMN1; SMN2 (0.34) KDM4ENPSR1SMN1; SMN2LMNAPKM
Trifluoroacetic Acid SCHEMBL2976717 0.93 ALDH1A1 (0.32) KDM4ENPSR1SMN1; SMN2LMNAPKM
Trifluoroacetic Acid SCHEMBL2659979 0.93 SLC2A1 (0.32) LMNA
Trifluoroacetic Acid SCHEMBL2977949 0.93 HDAC1 (0.32) SMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL2661336 0.92 KDM4E (0.31) KDM4ENPSR1SMN1; SMN2LMNAPKM
Trifluoroacetic Acid SCHEMBL2967037 0.91 HSD17B10 (0.40) KDM4ENPSR1SMN1; SMN2LMNAPKM
Trifluoroacetic Acid SCHEMBL2976338 0.91 LMNA (0.31) KDM4ELMNAALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL2976837 0.91 GCK (0.33) SMN1; SMN2
Trifluoroacetic Acid SCHEMBL2966646 0.90 DRD2 (0.31)
Trifluoroacetic Acid SCHEMBL2968988 0.90 GCK (0.32) SMN1; SMN2

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 11 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
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO 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 KDM4E 1017/4885NPSR1 431/4885SMN1; SMN2 4708/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 KDM4E 1017/4885NPSR1 431/4885SMN1; SMN2 4708/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 KDM4E 1017/4885NPSR1 431/4885SMN1; 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 KDM4E 1347/4885NPSR1 1323/4885SMN1; 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.