Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18587767

O=C(O)C(F)(F)F.O=C(O)NCc1ccc(I)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
ITGB1 P05556 2/20 0.44
ITGA5 P08648 2/20 0.44
ITGA4 P13612 2/20 0.44
ITGB3 P05106 1/20 0.42
ITGB2 P05107 1/20 0.42
ITGAV P06756 1/20 0.42
ITGAL P20701 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 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
SCHEMBL5166934 0.89 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL1312566 0.82 EPHX2 (0.44) SMN1; SMN2HDAC6CA12CA1CA2
SCHEMBL30249388 0.80 CA1 (0.45) SMN1; SMN2HDAC1HDAC6HDAC7HDAC8
SCHEMBL11533429 0.79 CYP2C9 (0.65) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Trifluoroacetic Acid SCHEMBL29220443 0.79 CYP1A2 (0.42) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL16444302 0.77 CA1 (0.54) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL1695141 0.77 MTOR (0.58) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Trifluoroacetic Acid SCHEMBL18587850 0.77 ITGB3 (0.44) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL20484947 0.76 SMN1; SMN2 (0.38) TSHRSMN1; SMN2HDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL8845061 0.74 TPMT (0.43) ITGB1ITGA5ITGA4ITGB3ITGB2

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-3344630-B1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-09 EP disclosed
US-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-11 US disclosed
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD. (CH) 2018-09-06 US disclosed
EP-3344630-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS Idorsia Pharmaceuticals Ltd (CH) 2018-07-11 EP disclosed
WO-2017037221-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-C]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2017-03-09 WO 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-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds MRPL21, MRM1, MT-CO1 CYP1A2 691/4885CYP2D6 326/4885CYP2C9 1137/4885
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS MRPL21, MRM1, MT-CO1 CYP1A2 691/4885CYP2D6 326/4885CYP2C9 1137/4885

“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.