Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1493735

CCOC(=O)C12CCC(N)(CC1)CC2.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.36
OPRD1 P41143 6/20 0.36
OPRK1 P41145 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
SLC1A2 P43004 2/20 0.33
MAPT P10636 1/20 0.33
HIF1A Q16665 1/20 0.33
ALOX15 P16050 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL1306329 0.88 ALOX15 (0.41) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
Bromide SCHEMBL1494095 0.86 ALOX15 (0.39) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
Hydrochloric Acid SCHEMBL755483 0.86 ALOX15 (0.39) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
SCHEMBL1305671 0.80 POLB (0.40) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
SCHEMBL17893420 0.80 ALDH1A1 (0.46) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
Hydrochloric Acid SCHEMBL18075817 0.79 SMN1; SMN2 (0.39) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
SCHEMBL1493761 0.79 MGAM (0.39) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
SCHEMBL1566652 0.76 OPRM1 (0.40) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
SCHEMBL10151903 0.75 SMN1; SMN2 (0.38) OPRM1OPRD1OPRK1SMN1; SMN2SLC22A1
Trifluoroacetic Acid SCHEMBL28700412 0.74 DPP4 (0.34) OPRM1OPRD1OPRK1SMN1; SMN2SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172444-A1 METHOD FOR PURIFYING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE AND SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 US disclosed
EP-2332908-A1 METHOD FOR PURIFYING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE AND SALT THEREOF Kyorin Pharmaceutical Co., Ltd. (JP) 2011-06-15 EP disclosed
US-7915427-B2 Process for producing aminoacetyl pyrrolidine carbonitrile derivative and intermediate for production thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2011-03-29 US disclosed
US-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof KYORIN PHARMACEUTICALS CO., LTD. (JP) 2009-02-19 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 (2 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-20090048454-A1 Process for Producing Aminoacetyl Pyrrolidine Carbonitrile Derivative and Intermediate for Production Thereof CBR3, CPS1, CBR1 OPRM1 3573/4885OPRD1 2431/4885OPRK1 3469/4885
US-20110172444-A1 METHOD FOR PURIFYING AMINOACETYLPYRROLIDINECARBONITRILE DERIVATIVE AND SALT THEREOF DPP4, DPP7, DPP9 OPRM1 3721/4885OPRD1 2381/4885OPRK1 3767/4885

“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.