Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4688700

CCSc1ccc(-c2cc3nc(N)nc(N)c3c3ccn(C)c23)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
F2R P25116 2/20 0.34
SLC2A1 P11166 7/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PAX8 Q06710 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
SCHEMBL4688118 0.91 DHFR (0.45) DHFRKDM4ELMNAMAPTPKM
Trifluoroacetic Acid SCHEMBL4687824 0.90 F2R (0.41) DHFRKDM4ELMNAMAPTPKM
Trifluoroacetic Acid SCHEMBL4691235 0.88 F2R (0.43) DHFRF2RSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4692244 0.87 DHFR (0.42) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4689027 0.87 DHFR (0.42) DHFRSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4688071 0.87 DHFR (0.42) DHFRF2RSLC2A1
Trifluoroacetic Acid SCHEMBL4690263 0.87 DHFR (0.42) DHFRF2RSLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4690602 0.86 F2R (0.45) DHFRKDM4ELMNAMAPTKMT2A
Trifluoroacetic Acid SCHEMBL4693993 0.86 DHFR (0.41) DHFRKDM4ESLC2A1PAX8
Trifluoroacetic Acid SCHEMBL4693908 0.86 DHFR (0.41) 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 DHFR 289/4885PTGDR2 2382/4885KDM4E 296/4885
US-20070270445-A1 Diaminopyrroloquinazolines compounds as protein tyrosine phosphatase inhibitors PTPN5, DUSP15, PPP5C DHFR 339/4885PTGDR2 2617/4885KDM4E 570/4885

“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.