SCHEMBL20202996

SCHEMBL20202996

O=CC(CC(=O)O)NC(=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
KDM5C P41229 3/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM2A Q9Y2K7 3/20 0.41
EGLN1 Q9GZT9 2/20 0.41
KDM6B O15054 1/20 0.41
FOLH1 Q04609 1/20 0.41
CASP3 P42574 2/20 0.41
ITGB3 P05106 2/20 0.40
ITGA2B P08514 2/20 0.40
CASP1 P29466 9/20 0.39
IL1B P01584 2/20 0.39
GNPAT O15228 1/20 0.39
MME P08473 2/20 0.38

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
SCHEMBL7275500 0.82 CASP3 (0.45) CASP3CASP1
SCHEMBL12809931 0.82 CASP3 (0.45) CASP3CASP1
SCHEMBL13891807 0.80 CASP3 (0.41) CASP3ITGB3ITGA2BCASP1IL1B
SCHEMBL18132943 0.80 CASP3 (0.41) CASP3ITGB3ITGA2BCASP1IL1B
SCHEMBL18541614 0.79 CASP3 (0.46) FOLH1CASP3CASP1
SCHEMBL8201263 0.79 CTSK (0.44) KDM4EKDM5CPHF8KDM2AEGLN1
SCHEMBL22271706 0.77 CASP3 (0.39) CASP3CASP1IL1B
SCHEMBL7431065 0.77 CASP1 (0.63) CASP1IL1B
SCHEMBL3520937 0.76 CA2 (0.59) FOLH1CASP3CASP1
SCHEMBL8360127 0.75 CASP3 (0.43) KDM4ECASP3CASP1GNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180147286-A1 BONE FRACTURE REPAIR BY TARGETING OF AGENTS THAT PROMOTE BONE HEALING UNIVERSITY OF UTAH 2018-05-31 US disclosed
US-20180147286-A1 BONE FRACTURE REPAIR BY TARGETING OF AGENTS THAT PROMOTE BONE HEALING UNIVERSITY OF UTAH 2018-05-31 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-20180147286-A1 BONE FRACTURE REPAIR BY TARGETING OF AGENTS THAT PROMOTE BONE HEALING CTSK, CTSG, MMP13 KDM4E 2733/4885KDM5C 3334/4885PHF8 3692/4885

“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.