SCHEMBL3903233

SCHEMBL3903233

COc1ccc(Oc2ccnc3cc(OC(=O)N4CCOCC4)c(OC)cc23)c(C(C)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.58
TGFBR1 P36897 5/20 0.58
GAA P10253 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.50
EGFR P00533 1/20 0.49
KDR P35968 6/20 0.47
PDGFRA P16234 2/20 0.46
PDGFRB P09619 1/20 0.46
LCK P06239 1/20 0.46
MET P08581 2/20 0.45
AXL P30530 1/20 0.45

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
SCHEMBL3896063 0.85 SRC (0.78) SRCTGFBR1KDRPDGFRAPDGFRB
SCHEMBL3896188 0.84 FGFR2 (0.61) SRCTGFBR1EGFRKDRPDGFRA
Hydrochloric Acid SCHEMBL3892765 0.84 SRC (0.77) SRCTGFBR1KDRPDGFRAPDGFRB
SCHEMBL3896916 0.84 AXL (0.65) SRCEGFRKDRPDGFRAPDGFRB
SCHEMBL21884878 0.79 KDR (0.49) SRCTGFBR1HSD17B10EGFRKDR
SCHEMBL3893152 0.78 SRC (0.67) SRCTGFBR1KDRPDGFRAPDGFRB
SCHEMBL3908143 0.77 SRC (0.72) SRCTGFBR1KDRPDGFRAPDGFRB
SCHEMBL3894066 0.77 SRC (0.66) SRCTGFBR1KDRPDGFRAPDGFRB
SCHEMBL3894730 0.77 SRC (0.66) SRCTGFBR1KDRPDGFRAPDGFRB
SCHEMBL3894634 0.77 SRC (0.64) SRCTGFBR1KDRPDGFRAPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2009-12-17 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
US-7560558-B2 Compound having TGFβ inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-07-14 US disclosed
EP-1724268-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-22 EP disclosed
US-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-05-25 US disclosed
EP-1548008-A1 COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND MEDICINAL COMPOSITION CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-06-29 EP 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-20060111375-A1 Compound having tgfß inhibitory activity and medicinal composition containing the same TGFB1, TGFBR1, TGFBR2 SRC 399/4885TGFBR1 2/4885GAA 2047/4885
US-20090312313-A1 COMPOUND HAVING TGFBETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME TGFB1, TGFBR1, TGFBR2 SRC 496/4885TGFBR1 2/4885GAA 1837/4885

“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.