Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4692099

Cn1ccc2c3c(N)nc(N)nc3cc(-c3ccc(F)c(Cl)c3)c21.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 2/20 0.39
▸ FYN P06241 1/20 0.34
▸ EPHB4 P54760 2/20 0.33
▸ MET P08581 1/20 0.33
▸ SLC2A1 P11166 2/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ F2R P25116 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ TSPO P30536 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL4688622 0.93 DHFR (0.40) DHFRSLC2A1F2R
SCHEMBL4689075 0.92 DHFR (0.45) DHFRFYNEPHB4SLC2A1F2R
Trifluoroacetic Acid SCHEMBL4693908 0.91 DHFR (0.41) DHFRMETSLC2A1
Trifluoroacetic Acid SCHEMBL4691346 0.89 DHFR (0.41) DHFRMETSLC2A1F2R
Trifluoroacetic Acid SCHEMBL4692005 0.88 MAP4K4 (0.41) DHFRMETSLC2A1
Trifluoroacetic Acid SCHEMBL4689027 0.88 DHFR (0.42) DHFRMETSLC2A1PIK3CAADORA2A
Trifluoroacetic Acid SCHEMBL4688071 0.86 DHFR (0.42) DHFRSLC2A1F2RADORA2A
Trifluoroacetic Acid SCHEMBL4690263 0.86 DHFR (0.42) DHFRSLC2A1F2R
Trifluoroacetic Acid SCHEMBL4692244 0.86 DHFR (0.42) DHFRSLC2A1ADORA2AADORA1
Trifluoroacetic Acid SCHEMBL4689915 0.85 SLC2A1 (0.41) DHFRSLC2A1ADORA2A

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 289/4885FYN 149/4885EPHB4 1340/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885FYN 147/4885EPHB4 2647/4885

“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.