Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL19989616

COCC#Cc1ccc(C2=CCNCC2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.38
QDPR P09417 3/20 0.37
P2RY14 Q15391 1/20 0.36
SIGMAR1 Q99720 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HTR2C P28335 6/20 0.34
TGFBR1 P36897 1/20 0.34
ACVR1 Q04771 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN9A Q15858 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
ULK1 O75385 1/20 0.33

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
SCHEMBL23716667 0.73 DRD2 (0.41) QDPR
Trifluoroacetic Acid SCHEMBL21003275 0.72 QDPR (0.42) QDPRSIGMAR1HTR2CTGFBR1ACVR1
Trifluoroacetic Acid SCHEMBL27126993 0.71 QDPR (0.40) QDPRP2RY14SIGMAR1HTR2CTGFBR1
Trifluoroacetic Acid SCHEMBL19989664 0.71 SIGMAR1 (0.67) QDPRP2RY14SIGMAR1HTR2C
Trifluoroacetic Acid SCHEMBL1198632 0.70 SIGMAR1 (0.50) QDPRP2RY14SIGMAR1HTR2CCCNT1
Trifluoroacetic Acid SCHEMBL30182435 0.70 QDPR (0.53) QDPRP2RY14SIGMAR1HTR2CSCN9A
Trifluoroacetic Acid SCHEMBL16799644 0.70 HTR2C (0.71) QDPRP2RY14SIGMAR1HTR2C
Trifluoroacetic Acid SCHEMBL16228956 0.70 SIGMAR1 (0.51) QDPRP2RY14SIGMAR1HTR2C
SCHEMBL15787096 0.68 HTR2C (0.50) WNT3AQDPRSIGMAR1HTR2CTGFBR1
SCHEMBL24880778 0.68 QDPR (0.48) WNT3AQDPRSIGMAR1HTR2CTGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519387-B1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG A ST CO LTD (KR) 2021-08-11 EP disclosed
EP-3519387-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS Dong-A ST Co., Ltd. (KR) 2019-08-07 EP disclosed
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents DONG-A ST CO., LTD. (KR) 2018-12-25 US disclosed
WO-2018062924-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-04-05 WO disclosed
US-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS DONG-A ST CO., LTD. (KR) 2018-03-29 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-20180086709-A1 TETRAHYDROPYRIDINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS GALE, UGDH, PGLS WNT3A 2338/4885QDPR 42/4885P2RY14 363/4885
US-10160724-B2 Tetrahydropyridine derivatives and their use as antibacterial agents GALE, UGDH, PGLS WNT3A 2338/4885QDPR 42/4885P2RY14 363/4885

“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.