Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4688945

COc1cccc(OC)c1-c1cc2nc(N)nc(N)c2c2ccn(C)c12.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 1/20 0.41
DHFR P00374 9/20 0.39
KCNH2 Q12809 1/20 0.37
SLC2A1 P11166 2/20 0.37
PAX8 Q06710 1/20 0.36
ADORA2A P29274 3/20 0.36
DHODH Q02127 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL4688095 0.90 DCPS (0.50) DCPSDHFRKCNH2SLC2A1
Trifluoroacetic Acid SCHEMBL4688971 0.88 DHFR (0.41) DHFRKCNH2SLC2A1PAX8ADORA2A
Trifluoroacetic Acid SCHEMBL4690936 0.87 DHFR (0.38) DCPSDHFRSLC2A1DHODHBACE1
Trifluoroacetic Acid SCHEMBL4691013 0.87 DHFR (0.48) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4688905 0.86 DHFR (0.40) DHFRSLC2A1ADORA2A
Trifluoroacetic Acid SCHEMBL4691346 0.86 DHFR (0.41) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4690808 0.85 DHFR (0.48) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4693415 0.85 DHFR (0.40) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4693910 0.85 DHFR (0.41) DHFRSLC2A1PAX8DHODH
Trifluoroacetic Acid SCHEMBL4692244 0.85 DHFR (0.42) DHFRSLC2A1PAX8ADORA2ADHODH

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
EP-1628979-B1 DIAMINOPYRROLOQUINAZOLINES COMPOUNDS AS PROTEIN TYROSINE PHOSPHATASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-11-22 US disclosed
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US disclosed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 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-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, PPP5C, PTP4A2 DCPS 244/4885DHFR 289/4885KCNH2 3365/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DCPS 220/4885DHFR 339/4885KCNH2 3401/4885

“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.