Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4707756

Cn1ccc2c3c(NCCCO)nc(N)nc3cc(I)c21.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 7/20 0.37
CYP2D6 P10635 2/20 0.36
SYK P43405 8/20 0.36
CYP2C9 P11712 1/20 0.36
CYP3A4 P08684 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 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
Trifluoroacetic Acid SCHEMBL4706997 0.95 SYK (0.35) TLR7CYP2D6SYKCYP2C9CYP3A4
Trifluoroacetic Acid SCHEMBL4708396 0.89 NLRP3 (0.36) TLR7CYP2D6SYKCYP2C9CYP3A4
SCHEMBL4707759 0.87 SYK (0.41) TLR7CYP2D6SYKCYP2C9
Trifluoroacetic Acid SCHEMBL4706549 0.87 SYK (0.36) TLR7SYK
Trifluoroacetic Acid SCHEMBL4708699 0.85 TLR7 (0.36) TLR7CYP2D6SYKCSNK2A1
Trifluoroacetic Acid SCHEMBL4707248 0.84 PTPN1 (0.42) TLR7CYP2D6CYP2C9CYP3A4
SCHEMBL4706999 0.84 SYK (0.40) TLR7CYP2D6SYKCYP2C9
Trifluoroacetic Acid SCHEMBL5619136 0.83 SYK (0.34) TLR7CYP2D6SYKCYP2C9CYP3A4
Trifluoroacetic Acid SCHEMBL4707316 0.80 DHFR (0.31)
SCHEMBL4706552 0.79 TLR7 (0.33) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633754-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
US-7226915-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-06-05 US disclosed
US-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-18 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-20040229890-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PTPRO, PTPN18 TLR7 3293/4885CYP2D6 1994/4885SYK 127/4885

“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.