Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4691013

COc1ccc(-c2cc3nc(N)nc(N)c3c3ccn(C)c23)cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.48
SLC2A1 P11166 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.36
ADORA1 P30542 1/20 0.36
HPGDS O60760 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4688037 0.90 DHFR (0.58) DHFRSLC2A1ALDH1A1KDM4EMEN1
Trifluoroacetic Acid SCHEMBL4688905 0.90 DHFR (0.40) DHFRSLC2A1KDM4E
Trifluoroacetic Acid SCHEMBL4690936 0.87 DHFR (0.38) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4690808 0.87 DHFR (0.48) DHFRSLC2A1ALDH1A1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL4688945 0.87 DCPS (0.41) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4688071 0.87 DHFR (0.42) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4692244 0.87 DHFR (0.42) DHFRSLC2A1ADORA1
Trifluoroacetic Acid SCHEMBL4690263 0.87 DHFR (0.42) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4689027 0.87 DHFR (0.42) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4688622 0.86 DHFR (0.40) DHFRSLC2A1

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 DHFR 289/4885SLC2A1 271/4885ALDH1A1 1153/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885SLC2A1 298/4885ALDH1A1 1309/4885

“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.