Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4693974

COc1ccc(-c2cc3nc(N)nc(N)c3c3cc[nH]c23)c(OC)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 6/20 0.40
CTSG P08311 1/20 0.39
KLK7 P49862 1/20 0.39
CTRC Q99895 1/20 0.39
KLK14 Q9P0G3 1/20 0.39
KLK5 Q9Y337 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
DYRK1A Q13627 2/20 0.36
DYRK3 O43781 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
GFER P55789 1/20 0.36
ALPL P05186 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
SCHEMBL4688320 0.91 DHFR (0.47) DHFRCTSGKLK7CTRCKLK14
Trifluoroacetic Acid SCHEMBL4688579 0.85 DHFR (0.39) DHFRKDM4EMEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL4689849 0.81 DHFR (0.46) DHFRCTSGKLK7KLK14KLK5
Trifluoroacetic Acid SCHEMBL4693415 0.81 DHFR (0.40) DHFRKDM4EMEN1POLBKMT2A
Trifluoroacetic Acid SCHEMBL4687679 0.79 DYRK1A (0.37) KDM4EDYRK1ADYRK3DYRK1BMAPK1
Trifluoroacetic Acid SCHEMBL4690959 0.78 DHFR (0.41) DHFRMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5382553 0.78 IKBKB (0.38) DHFRDYRK1ADYRK2DYRK1B
Trifluoroacetic Acid SCHEMBL4688959 0.78 DHFR (0.41) DHFR
Trifluoroacetic Acid SCHEMBL4694100 0.78 GRM2 (0.36) DHFRKDM4E
Trifluoroacetic Acid SCHEMBL4693582 0.77 F2R (0.36) DHFR

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 289/4885CTSG 4213/4885KLK7 3019/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885CTSG 4327/4885KLK7 3801/4885

“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.