Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1368424

CC(=O)NC1CNC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPSE Q9Y251 2/20 0.35
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FUCA1 P04066 1/20 0.32
OGA O60502 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
ALOX15 P16050 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
SCHEMBL47794 0.85
Hydrochloric Acid SCHEMBL6616254 0.83
Trifluoroacetic Acid SCHEMBL23779199 0.83 MAPK1 (0.43) ATMKDM4EALDH1A1HRH4HRH3
Trifluoroacetic Acid SCHEMBL23779162 0.83 MAPK1 (0.43) ATMKDM4EALDH1A1HRH4HRH3
Trifluoroacetic Acid SCHEMBL28212560 0.81 EPHX1 (0.52) ATMKDM4EALDH1A1HRH4HRH3
Trifluoroacetic Acid SCHEMBL18497469 0.81 EPHX1 (0.34) HPSEHRH4HRH3FUCA1CHRNA7
Trifluoroacetic Acid SCHEMBL18497314 0.81 TSHR (0.36) HPSEHRH4HRH3FUCA1CHRNA7
Trifluoroacetic Acid SCHEMBL18497641 0.80 HRH4 (0.38) HRH4HRH3FUCA1MTNR1AMTNR1B
Trifluoroacetic Acid SCHEMBL4037193 0.80 HRH4 (0.34) HPSEHRH4HRH3FUCA1SLC6A2
Trifluoroacetic Acid SCHEMBL14829310 0.80 HRH4 (0.34) HPSEHRH4HRH3FUCA1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102307869-B Aminopyrazine derivative and medicine NIPPON SHINYAKU CO.,LTD. (JP) 2014-10-22 CN disclosed
US-8673891-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2014-03-18 US disclosed
EP-2394999-B1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2014-01-29 EP disclosed
US-8586591-B2 Aminopyrazine derivative and medicine NIPPON SHINYAKU CO., LTD. (JP) 2013-11-19 US disclosed
US-20130131082-A1 Aminopyrazine Derivative and Medicine NIPPON SHINYAKU CO., LTD (JP) 2013-05-23 US disclosed
CN-102307869-A Aminopyrazine derivative and medicine NIPPON SHINYAKU CO LTD 2012-01-04 CN disclosed
EP-2394999-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2011-12-14 EP disclosed
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO., LTD. (JP) 2011-11-24 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 (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-20130131082-A1 Aminopyrazine Derivative and Medicine MC2R, AGTR2, AGTR1 ATM 1995/4885KDM4E 1759/4885ALDH1A1 1798/4885
US-20110288065-A1 AMINOPYRAZINE DERIVATIVE AND MEDICINE MC2R, CNR1, NPY2R ATM 2283/4885KDM4E 2146/4885ALDH1A1 2121/4885

“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.