Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2976338

CC(C)N(c1cccc2cc(-c3ncc(CN4CCN(CC(=O)N(C)C)CC4)s3)[nH]c12)S(=O)(=O)c1cccs1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.31

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
GCK P35557 1/20 0.30
OGA O60502 1/20 0.30
GRIN2B Q13224 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
SCHEMBL13203593 0.95 KMT2A (0.33) LMNAKDM4ENPC1RAB9ACCNT1
Trifluoroacetic Acid SCHEMBL2974101 0.94 LMNA (0.32) LMNAKDM4ENPC1RAB9ACCNT1
Trifluoroacetic Acid SCHEMBL2659979 0.92 SLC2A1 (0.32) LMNAGCK
Trifluoroacetic Acid SCHEMBL2969672 0.92 KDM4E (0.30) LMNAKDM4ENPC1RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL2977949 0.91 HDAC1 (0.32) LMNAGCK
Trifluoroacetic Acid SCHEMBL2660170 0.91 KDM4E (0.31) LMNAKDM4EALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL2967037 0.90 HSD17B10 (0.40) LMNAKDM4EALDH1A1KMT2A
Trifluoroacetic Acid SCHEMBL2976837 0.90 GCK (0.33) GCKOGA
Trifluoroacetic Acid SCHEMBL2973402 0.89 SLC2A1 (0.32) GCK
SCHEMBL2968240 0.89 ALDH1A1 (0.34) LMNAKDM4ENPC1RAB9ACCNT1

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 LMNA 4727/4885KDM4E 1017/4885NPC1 2480/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 LMNA 4727/4885KDM4E 1017/4885NPC1 2480/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 LMNA 4727/4885KDM4E 1017/4885NPC1 2480/4885
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 LMNA 4653/4885KDM4E 1347/4885NPC1 3885/4885

“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.