Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2977941

CN(c1cccc2cc(-c3ncc(CN4CCC(C(N)=O)CC4)s3)[nH]c12)S(=O)(=O)c1cccs1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
OGA O60502 4/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ACKR3 P25106 1/20 0.31
LMNA P02545 1/20 0.31
GCK P35557 1/20 0.31

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
SCHEMBL2668529 0.95 OGA (0.35) OGAALDH1A1SMN1; SMN2FAAHACKR3
Trifluoroacetic Acid SCHEMBL2963156 0.94 NPC1 (0.35) NPC1RAB9AF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2978386 0.93 NPC1 (0.35) NPC1RAB9AF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2661064 0.93 GCK (0.32) F2F10PRSS1OGAALDH1A1
Trifluoroacetic Acid SCHEMBL2659854 0.92 LMNA (0.33) F2F10PRSS1OGAALDH1A1
Trifluoroacetic Acid SCHEMBL2969488 0.91 CCR5 (0.33) F2F10PRSS1OGAALDH1A1
Trifluoroacetic Acid SCHEMBL2977951 0.91 LMNA (0.36) NPC1RAB9AF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2976315 0.91 ALDH1A1 (0.41) ATMALDH1A1SMN1; SMN2TP53MAPT
Trifluoroacetic Acid SCHEMBL2978088 0.91 NPC1 (0.33) NPC1RAB9AF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2660264 0.91 LMNA (0.37) F2F10PRSS1ALDH1A1SMN1; 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 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 NPC1 2480/4885RAB9A 3121/4885F2 3253/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 NPC1 2480/4885RAB9A 3121/4885F2 3253/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 NPC1 2480/4885RAB9A 3121/4885F2 3253/4885
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 NPC1 3885/4885RAB9A 4362/4885F2 3743/4885

“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.