Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4693587

CCc1ccc(-c2cc3nc(N)nc(N)c3c3cc[nH]c23)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.37
DHFR P00374 10/20 0.36
SLC2A1 P11166 2/20 0.36
NOS3 P29474 1/20 0.33
NOS1 P29475 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
SCHEMBL4688892 0.90 F2R (0.44) F2RDHFRSLC2A1
SCHEMBL4688893 0.90 F2R (0.44) F2RDHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4694100 0.88 GRM2 (0.36) DHFR
Trifluoroacetic Acid SCHEMBL4688959 0.88 DHFR (0.41) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL4693582 0.87 F2R (0.36) F2RDHFR
SCHEMBL4691250 0.84 MAP4K4 (0.42) DHFRSLC2A1
SCHEMBL4688833 0.84 SGK1 (0.37) DHFRSLC2A1
Trifluoroacetic Acid SCHEMBL5389702 0.83 DHFR (0.38) DHFR
Trifluoroacetic Acid SCHEMBL4687931 0.83 DHFR (0.33) DHFR
Trifluoroacetic Acid SCHEMBL5387603 0.83 DHFR (0.43) 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 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 F2R 3381/4885DHFR 289/4885SLC2A1 271/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C F2R 3648/4885DHFR 339/4885SLC2A1 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.