Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4690936

COc1ccc(F)cc1-c1cc2nc(N)nc(N)c2c2ccn(C)c12.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.38
DHODH Q02127 1/20 0.37
SLC2A1 P11166 3/20 0.36
BACE1 P56817 2/20 0.36
DPP4 P27487 1/20 0.36
DCPS Q96C86 1/20 0.35
LRRK2 Q5S007 1/20 0.34
TAAR1 Q96RJ0 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
SCHEMBL4687390 0.92 DHFR (0.44) DHFRSLC2A1BACE1DPP4DCPS
Trifluoroacetic Acid SCHEMBL4690808 0.91 DHFR (0.48) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4692020 0.89 DHFR (0.41) DHFRDHODHSLC2A1DPP4
Trifluoroacetic Acid SCHEMBL4691131 0.89 DHFR (0.36) DHFRSLC2A1TAAR1
Trifluoroacetic Acid SCHEMBL4688945 0.87 DCPS (0.41) DHFRDHODHSLC2A1BACE1DCPS
Trifluoroacetic Acid SCHEMBL4691013 0.87 DHFR (0.48) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4687821 0.87 DHFR (0.41) DHFRDHODHSLC2A1DPP4DCPS
Trifluoroacetic Acid SCHEMBL4689027 0.87 DHFR (0.42) DHFRDHODHSLC2A1
Trifluoroacetic Acid SCHEMBL4693415 0.86 DHFR (0.40) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4689915 0.84 SLC2A1 (0.41) DHFRDHODHSLC2A1DCPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262297-B2 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-28 US claimed
US-20040235872-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors BERTHEL STEVEN JOSEPH (US) 2004-11-25 US claimed
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 289/4885DHODH 135/4885SLC2A1 271/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885DHODH 211/4885SLC2A1 298/4885

“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.