SCHEMBL5470531

SCHEMBL5470531

COc1ccc(COC(=O)c2cc(C=C3SC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3=O)ccc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
PTPN1 P18031 4/20 0.53
ACP1 P24666 4/20 0.53
HSD17B3 P37058 1/20 0.51
ENPP2 Q13822 7/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALPL P05186 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
PPARG P37231 2/20 0.49
PTPN2 P17706 2/20 0.47
CA9 Q16790 1/20 0.46

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
SCHEMBL5470526 1.00 PIM1 (0.55) PIM1PTPN1ACP1HSD17B3ENPP2
SCHEMBL5465629 0.88 PTPN1 (0.56) PTPN1ACP1HSD17B3ENPP2KDM4E
SCHEMBL5465627 0.88 PTPN1 (0.56) PTPN1ACP1HSD17B3ENPP2KDM4E
SCHEMBL5461413 0.84 NLRP3 (0.56) PIM1PTPN1ACP1ENPP2MEN1
SCHEMBL5461410 0.84 NLRP3 (0.56) PIM1PTPN1ACP1ENPP2MEN1
SCHEMBL5462482 0.83 CFTR (0.62) PIM1PTPN1ACP1ENPP2PPARG
SCHEMBL5462486 0.83 CFTR (0.62) PIM1PTPN1ACP1ENPP2PPARG
SCHEMBL5462627 0.81 PPARG (0.56) PIM1PTPN1ACP1MEN1MAPT
SCHEMBL5462628 0.81 PPARG (0.56) PIM1PTPN1ACP1MEN1MAPT
SCHEMBL5464405 0.81 ENPP2 (0.70) PTPN1ACP1ENPP2PTPN2

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
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 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 (1 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 PIM1 1268/4885PTPN1 3264/4885ACP1 254/4885

“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.