SCHEMBL5025637

SCHEMBL5025637

O=C(O)CC1=C2CC=CC=C2N(CC(=O)N2CCC(Nc3nc4ccccc4[nH]3)CC2)C(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.43
ITGAV P06756 13/20 0.43
JAK1 P23458 1/20 0.38
KCNH2 Q12809 2/20 0.38
CXCR3 P49682 1/20 0.38
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5028375 0.79 ITGB3 (0.46) ITGB3ITGAV
SCHEMBL5024074 0.78 ITGB3 (0.48) ITGB3ITGAVKCNH2HSD17B10TSHR
SCHEMBL5023988 0.75 ITGB3 (0.47) ITGB3ITGAVHSD17B10KDM4EGAA
SCHEMBL6425808 0.74 ITGB3 (0.74) ITGB3ITGAVCXCR3
SCHEMBL6439935 0.74 ITGB3 (0.50) ITGB3ITGAVJAK1KCNH2CXCR3
SCHEMBL5025438 0.73 ITGB3 (0.53) ITGB3ITGAVKDM4ESMN1; SMN2
SCHEMBL6439941 0.73 ITGB3 (0.49) ITGB3ITGAVJAK1KCNH2CXCR3
SCHEMBL8139051 0.70 SMN1; SMN2 (0.53) JAK1KCNH2KDM4EGAAMAPT
SCHEMBL383139 0.67 NOS2 (0.58) ITGB3ITGAVKCNH2HSD17B10KDM4E
SCHEMBL9383756 0.67 NPC1 (0.53) JAK1KCNH2KDM4EGAAMAPT

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-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885JAK1 3239/4885

“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.