Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2969672

CCN(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 0.30

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 2/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
OGA O60502 1/20 0.30
GRIN1 Q05586 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
SCHEMBL2668544 0.95 ALDH1A1 (0.33) KDM4ENPC1LMNARAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL2974101 0.94 LMNA (0.32) KDM4ENPC1LMNARAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL2973985 0.93
Trifluoroacetic Acid SCHEMBL2973402 0.93 SLC2A1 (0.32)
Trifluoroacetic Acid SCHEMBL2661305 0.92 SLC2A1 (0.32) LMNA
Trifluoroacetic Acid SCHEMBL2976338 0.92 LMNA (0.31) KDM4ENPC1LMNARAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL2661336 0.92 KDM4E (0.31) KDM4ELMNAALDH1A1KMT2ATSHR
Trifluoroacetic Acid SCHEMBL2660463 0.91 HDAC1 (0.32) LMNA
Trifluoroacetic Acid SCHEMBL2978056 0.90 HSD17B10 (0.40) KDM4ELMNAALDH1A1KMT2ATSHR
Trifluoroacetic Acid SCHEMBL2661161 0.90 GCK (0.31) OGA

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