Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4526972

CNc1nc(N)nc2cc(-c3c(OCCOC)c(OCCOC)c(Cl)c(OCCOC)c3OCCOC)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.33
CYP2D6 P10635 1/20 0.33
DRD1 P21728 1/20 0.33
HTR2A P28223 1/20 0.33
ADORA1 P30542 1/20 0.33
NLRP3 Q96P20 2/20 0.32
KCNH2 Q12809 3/20 0.32
NOS1 P29475 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
CNR1 P21554 1/20 0.31
P2RX7 Q99572 1/20 0.31
GRM4 Q14833 1/20 0.31

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
SCHEMBL4525742 0.91 NLRP3 (0.38) PTPN1CYP2D6DRD1HTR2AADORA1
Trifluoroacetic Acid SCHEMBL4524745 0.85 NOS1 (0.35) PTPN1CYP2D6DRD1HTR2AADORA1
Trifluoroacetic Acid SCHEMBL4511571 0.81 NOS1 (0.36) PTPN1CYP2D6DRD1HTR2AADORA1
Trifluoroacetic Acid SCHEMBL4521116 0.79 PTPN1 (0.48) PTPN1CYP2D6
Trifluoroacetic Acid SCHEMBL4528055 0.79 MAP4K4 (0.43) PTPN1NLRP3
Trifluoroacetic Acid SCHEMBL4519972 0.77 KCNH2 (0.34) CYP2D6DRD1HTR2AADORA1NLRP3
Trifluoroacetic Acid SCHEMBL5499368 0.76 PTPN1 (0.39) PTPN1NLRP3KCNH2
Trifluoroacetic Acid SCHEMBL4525618 0.76 DHFR (0.52) PTPN1NLRP3
Trifluoroacetic Acid SCHEMBL4524510 0.75 PTPN1 (0.50) PTPN1CYP2D6TRPV1
Trifluoroacetic Acid SCHEMBL4510501 0.75 PTPN1 (0.51) PTPN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885CYP2D6 1228/4885DRD1 4516/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 PTPN1 2/4885CYP2D6 1228/4885DRD1 4516/4885

“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.