SCHEMBL3732487

SCHEMBL3732487

CCCCC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 12/20 0.59
WNT3A P56704 12/20 0.59
F2R P25116 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
HTR7 P34969 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL27629360 0.95 CTNNB1 (0.57) CTNNB1WNT3AF2RLMNAGAA
SCHEMBL18662346 0.90 CTNNB1 (0.62) CTNNB1WNT3AF2RLMNAGAA
SCHEMBL30089582 0.86 CTNNB1 (0.75) CTNNB1WNT3AF2RLMNAGAA
SCHEMBL5851305 0.85 CTNNB1 (0.60) CTNNB1WNT3ALMNAGAA
SCHEMBL24775562 0.83 CTNNB1 (0.59) CTNNB1WNT3ALMNAGAA
SCHEMBL31525070 0.83 CTNNB1 (0.59) CTNNB1WNT3ALMNAGAA
SCHEMBL28522369 0.83 GABRA1 (0.44) CTNNB1WNT3ALMNAALDH1A1HTR7
SCHEMBL5543911 0.83 CTNNB1 (0.59) CTNNB1WNT3AF2RLMNAGAA
SCHEMBL29410857 0.82 CTNNB1 (0.57) CTNNB1WNT3AF2RLMNAGAA
SCHEMBL1950901 0.82 CTNNB1 (0.57) CTNNB1WNT3AF2RLMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2010-11-04 US disclosed
EP-1910359-B1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed
US-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS BERTHEL STEVEN JOSEPH 2009-03-05 US disclosed
CN-100417636-C Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same CENTRAL GLASS CO LTD (JP) 2008-09-10 CN disclosed
EP-1910359-A1 PYRIDO [2 , 3-D]PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. Hoffmann-Roche AG (CH) 2008-04-16 EP disclosed
WO-2007009911-A1 PYRIDO [2 , 3-D] PYRIMIDINE-2 , 4-DIAMINE COMPOUNDS AS PTPlB INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-25 WO disclosed
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2007-01-25 US disclosed
CN-1671647-A Optically active 1-(fluoro-, trifluoromethyl-or trifluoromethoxy-substituted phenyl) alkylamine n-monoalkyl derivatives and process for producing same CENTRAL GLASS CO LTD (JP) 2005-09-21 CN 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 (3 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-20090062276-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP CTNNB1 2561/4885WNT3A 2847/4885F2R 3118/4885
US-20070021445-A1 Pyridopyrimidine protein tyrosine phosphatase inhibitors PTPRF, PTPN1, PTPRCAP CTNNB1 2561/4885WNT3A 2847/4885F2R 3118/4885
US-20100280021-A1 PYRIDOPYRIMIDINE PROTEIN TYROSINE PHOSPHATASE INHIBITORS PTPRF, PTPN1, PTPRCAP CTNNB1 2561/4885WNT3A 2847/4885F2R 3118/4885

“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.