Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL176992

COC(=O)c1cc(N)cc(Cl)c1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NOTUM Q6P988 3/20 0.42
KDM4E B2RXH2 4/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ABL1 P00519 1/20 0.41
PDK2 Q15119 3/20 0.40
PDK1 Q15118 2/20 0.40

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
SCHEMBL177003 0.88 ALDH1A1 (0.51) ATAD2ALDH1A1MAPTHPGDMEN1
SCHEMBL588343 0.77 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMEN1XBP1
SCHEMBL67540 0.77 ALDH1A1 (0.62) ALDH1A1MAPTHPGDMEN1XBP1
SCHEMBL111187 0.77 CA12 (0.58) ATAD2ALDH1A1MAPTHPGDKDM4E
SCHEMBL654773 0.77 CA1 (0.58) ATAD2ALDH1A1MAPTHPGDKDM4E
SCHEMBL630490 0.76 NOTUM (0.66) ATAD2ALDH1A1MAPTHPGDNOTUM
SCHEMBL31647047 0.76 TP53 (0.40) ATAD2ALDH1A1MAPTHPGDMEN1
SCHEMBL630815 0.76 NOTUM (0.66) ALDH1A1MAPTHPGDMEN1XBP1
Hydrochloric Acid SCHEMBL111186 0.75 CA12 (0.56) ATAD2ALDH1A1MAPTHPGDKDM4E
Hydrochloric Acid SCHEMBL9494959 0.75 CA1 (0.56) ATAD2ALDH1A1MAPTHPGDKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345636-B1 CASR AGONIST AJINOMOTO KK (JP) 2016-03-30 EP disclosed
US-9174932-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2015-11-03 US disclosed
US-9000208-B2 Glutamate derivatives or salts thereof AJINOMOTO CO., INC. (JP) 2015-04-07 US disclosed
US-8877739-B2 Prophylactic agent or therapeutic agent for diabetes or obesity AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-20140303122-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2014-10-09 US disclosed
US-8796485-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2014-08-05 US disclosed
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY AJINOMOTO CO., INC. (JP) 2013-04-25 US disclosed
EP-2554165-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY Ajinomoto Co., Inc. (JP) 2013-02-06 EP disclosed
EP-2551262-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF Ajinomoto Co., Inc. (JP) 2013-01-30 EP disclosed
US-20130017603-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF AJINOMOTO CO., INC. (JP) 2013-01-17 US disclosed
US-20110251418-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2011-10-13 US disclosed
EP-2345636-A1 CASR AGONIST Ajinomoto Co., Inc. (JP) 2011-07-20 EP 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-20130017603-A1 GLUTAMATE DERIVATIVES OR SALTS THEREOF CASR, GIPR, GRPR ATAD2 1784/4885ALDH1A1 2603/4885MAPT 2352/4885
US-20140303122-A1 CASR AGONISTS CASR, GIPR, GRIK5 ATAD2 2203/4885ALDH1A1 2705/4885MAPT 3790/4885
US-20130102570-A1 PROPHYLACTIC AGENT OR THERAPEUTIC AGENT FOR DIABETES OR OBESITY GPR119, GIPR, CASR ATAD2 1934/4885ALDH1A1 2335/4885MAPT 4605/4885
US-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 ATAD2 2203/4885ALDH1A1 2705/4885MAPT 3790/4885

“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.