Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2445440

COc1nc(-c2ccccc2Cl)cc2nc(-c3c(Cl)c(C(C)(C)C)nn3C)[nH]c12.O=C(O)C(F)(F)F

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.64
PTGES O14684 1/20 0.35
TACR3 P29371 1/20 0.34
ABL1 P00519 1/20 0.34
FOXO1 Q12778 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDE10A Q9Y233 3/20 0.33
PDE2A O00408 2/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.31
MAOA P21397 1/20 0.31
GUSB P08236 1/20 0.31
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
TSPO P30536 1/20 0.31
MAPT P10636 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
SCHEMBL2445898 0.93 TRPM8 (0.74) TRPM8PTGESABL1L3MBTL1PDE10A
SCHEMBL2452070 0.92 TRPM8 (0.73) TRPM8PTGESABL1L3MBTL1PDE10A
SCHEMBL2452068 0.92 TRPM8 (0.73) TRPM8PTGESABL1L3MBTL1PDE10A
SCHEMBL2445676 0.92 TRPM8 (0.73) TRPM8PTGESABL1L3MBTL1PDE10A
Hydrochloric Acid SCHEMBL2448734 0.92 TRPM8 (0.73) TRPM8PTGESABL1L3MBTL1PDE10A
Potassium SCHEMBL2445679 0.92 TRPM8 (0.73) TRPM8PTGESABL1L3MBTL1PDE10A
SCHEMBL2450499 0.90 TRPM8 (0.66) TRPM8PTGESTACR3ABL1FOXO1
SCHEMBL2443853 0.86 TRPM8 (0.59) TRPM8PDE10APDE2A
SCHEMBL2446656 0.85 TRPM8 (0.59) TRPM8PDE10APDE2A
SCHEMBL2446661 0.85 TRPM8 (0.59) TRPM8PDE10APDE2A

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
EP-2542552-B1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2017-11-15 EP disclosed
US-9718820-B2 Substituted aza-bicyclic imidazole derivatives useful TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-08-01 US disclosed
US-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2016-10-20 US disclosed
US-9409915-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-08-09 US disclosed
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 US disclosed
US-9023846-B2 Substituted AZA-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2015-05-05 US disclosed
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2014-06-05 US disclosed
US-8680098-B2 Substituted aza-bicyclic imidazole derivatives useful as TRPM8 receptor modulators JANSSEN PHARMACEUTICA, NV (BE) 2014-03-25 US disclosed
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-09-08 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-20160304518-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885PTGES 988/4885TACR3 413/4885
US-20150158875-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885PTGES 988/4885TACR3 413/4885
US-20140155395-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885PTGES 988/4885TACR3 413/4885
US-20110218197-A1 SUBSTITUTED AZA-BICYCLIC IMIDAZOLE DERIVATIVES USEFUL AS TRPM8 RECEPTOR MODULATORS TRPM8, TRPV1, TRPA1 TRPM8 1/4885PTGES 988/4885TACR3 413/4885

“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.