Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2967037

CCOC(=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 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PKM P14618 2/20 0.38
LMNA P02545 3/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 5/20 0.33
GAA P10253 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL13203639 0.95 HSD17B10 (0.44) HSD17B10SMN1; SMN2PKMLMNACYP2C9
Trifluoroacetic Acid SCHEMBL2967575 0.94 SMN1; SMN2 (0.41) HSD17B10SMN1; SMN2PKMLMNACYP2C9
Trifluoroacetic Acid SCHEMBL2978056 0.92 HSD17B10 (0.40) HSD17B10SMN1; SMN2PKMLMNACYP2C9
Trifluoroacetic Acid SCHEMBL2660170 0.91 KDM4E (0.31) SMN1; SMN2PKMLMNATSHRKMT2A
Trifluoroacetic Acid SCHEMBL2659979 0.91 SLC2A1 (0.32) LMNAHPGD
Trifluoroacetic Acid SCHEMBL2976350 0.91 ALDH1A1 (0.40) HSD17B10SMN1; SMN2PKMCYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL2977949 0.90 HDAC1 (0.32) SMN1; SMN2LMNAHPGD
Trifluoroacetic Acid SCHEMBL2976338 0.90 LMNA (0.31) LMNAKMT2AALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL2968201 0.90 SMN1; SMN2 (0.38) HSD17B10SMN1; SMN2PKMLMNACYP2C9
Trifluoroacetic Acid SCHEMBL2976208 0.90 HSD17B10 (0.38) HSD17B10SMN1; SMN2PKMLMNACYP2C9

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 HSD17B10 579/4885SMN1; SMN2 4708/4885PKM 588/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 HSD17B10 579/4885SMN1; SMN2 4708/4885PKM 588/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 HSD17B10 579/4885SMN1; SMN2 4708/4885PKM 588/4885
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 HSD17B10 1417/4885SMN1; SMN2 4181/4885PKM 260/4885

“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.