SCHEMBL26302244

SCHEMBL26302244

CCOP(=O)(OCC)C(F)(F)c1ccc2ccc(C(=O)O)nc2c1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
PTPN1 P18031 9/20 0.39
MRGPRX4 Q96LA9 1/20 0.36
SCN9A Q15858 2/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25407145 0.85 MAPT (0.51) PTPN1KDM4ESMN1; SMN2
SCHEMBL2694549 0.81 PTPN1 (0.57) MGAMPTPN1
SCHEMBL22468592 0.79 PTPN1 (0.59) PTPN1MRGPRX4KDM4ESMN1; SMN2
SCHEMBL25408552 0.78 ALDH1A1 (0.58) KDM4ESMN1; SMN2
SCHEMBL25410521 0.77 PTPN1 (0.41) PTPN1KDM4ESMN1; SMN2
SCHEMBL4307200 0.76 MGAM (0.53) MGAMMRGPRX4CNR2KDM4E
SCHEMBL31329134 0.76 MGAM (0.53) MGAMMRGPRX4CNR2KDM4E
SCHEMBL8419113 0.76 SRD5A2 (0.45) PTPN1SMN1; SMN2
SCHEMBL12458277 0.73 MGAM (0.53) MGAMCNR2KDM4E
SCHEMBL5893048 0.73 RXRA (0.46) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164680-A1 6-OXODECAHYDROPYRROLO[1,2-A][1,5]DIAZOCINE AND 6-OXODECAHYDRO-4H-PYRROLO[2,1-D][1,5]THIAZOCINE DERIVATIVES AS STAT3 AND STAT6 MODULATORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY CONDITIONS RECLUDIX PHARMA, INC. (US) 2023-08-31 WO disclosed