Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2660341

CN(c1cccc2cc(-c3ncc(CN4CCC(O)C4)s3)[nH]c12)S(=O)(=O)c1cccs1.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN1A P35498 2/20 0.32
SCN8A Q9UQD0 2/20 0.32
CNR2 P34972 2/20 0.31
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
GCK P35557 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CCR5 P51681 1/20 0.30
F2 P00734 1/20 0.30
F10 P00742 1/20 0.30
PRSS1 P07477 1/20 0.30
OGA O60502 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
Trifluoroacetic Acid SCHEMBL2660381 0.96 CNR2 (0.36) MEN1KMT2ACNR2GCKLMNA
Trifluoroacetic Acid SCHEMBL2661064 0.96 GCK (0.32) OPRM1CNR2GCKLMNAHPGD
SCHEMBL13083386 0.94 MEN1 (0.34) CYP2D6OPRM1OPRD1OPRK1MEN1
Trifluoroacetic Acid SCHEMBL2975646 0.93 GCK (0.32) CYP2D6OPRM1OPRD1OPRK1MEN1
Trifluoroacetic Acid SCHEMBL2662578 0.93 CNR2 (0.30) MEN1KMT2ACNR2GCK
Trifluoroacetic Acid SCHEMBL2976828 0.92 GCK (0.32) MEN1KMT2ASCN1ASCN8ACNR2
Trifluoroacetic Acid SCHEMBL2661736 0.92 ACKR3 (0.31) MEN1KMT2ASCN1ASCN8ACNR2
Trifluoroacetic Acid SCHEMBL2659854 0.91 LMNA (0.33) KMT2ASCN1ASCN8ACNR2GCK
Trifluoroacetic Acid SCHEMBL2659862 0.91 TAS2R14 (0.32) CNR2
Trifluoroacetic Acid SCHEMBL2660198 0.91 PIK3CD (0.35) 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 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 CYP2D6 251/4885OPRM1 1912/4885OPRD1 1975/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 CYP2D6 251/4885OPRM1 1912/4885OPRD1 1975/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 CYP2D6 251/4885OPRM1 1912/4885OPRD1 1975/4885
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 CYP2D6 699/4885OPRM1 3042/4885OPRD1 2547/4885

“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.