Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4155407

Nc1cccc(-c2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
ICMT O60725 4/20 0.37
GPR17 Q13304 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
IKBKB O14920 2/20 0.35
MME P08473 1/20 0.35
EGFR P00533 2/20 0.35
PDGFRB P09619 2/20 0.35
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
PARP1 P09874 2/20 0.34
CHEK1 O14757 1/20 0.34
WEE1 P30291 1/20 0.34

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
SCHEMBL4157563 0.95 HPGD (0.49) HPGDCYP2C19ICMTGPR17GRIN2D
SCHEMBL4155410 0.88 ICMT (0.35) HPGDCYP2C19ICMTIKBKBCHEK1
SCHEMBL4162598 0.86 HPGD (0.52) HPGDCYP2C19ICMTGPR17IKBKB
SCHEMBL4153837 0.86 GPR17 (0.45) HPGDCYP2C19ICMTGPR17GRIN2D
SCHEMBL4166164 0.84 GPR17 (0.40) HPGDCYP2C19GPR17GRIN2DGRIN3B
SCHEMBL4165123 0.84 HPGD (0.63) HPGDCYP2C19GPR17EGFRPARP1
Hydrochloric Acid SCHEMBL4161691 0.83 HPGD (0.62) HPGDCYP2C19GPR17IKBKBEGFR
SCHEMBL4163088 0.83 GRIN2D (0.45) HPGDCYP2C19ICMTGPR17GRIN2D
SCHEMBL4153796 0.82 TRIM24 (0.39) HPGDCYP2C19ICMTGPR17GRIN2D
SCHEMBL4166819 0.81 HPGD (0.47) HPGDCYP2C19GPR17GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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 (1 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 HPGD 882/4885CYP2C19 4277/4885ICMT 4247/4885

“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.