SCHEMBL6405731

SCHEMBL6405731

O=C1C[C@H](C(=O)O)[C@@H](C(=O)O)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.43
ITGA5 P08648 2/20 0.43
ITGB3 P05106 1/20 0.43
ITGB2 P05107 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA2B P08514 1/20 0.43
ITGB5 P18084 1/20 0.43
ITGAL P20701 1/20 0.43
SLC1A2 P43004 2/20 0.40
IDUA P35475 1/20 0.38
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.34
LMNA P02545 2/20 0.34
SLC1A1 P43005 1/20 0.34
POLB P06746 1/20 0.34
CAD P27708 1/20 0.32
GABRR1 P24046 1/20 0.32
ALOX15 P16050 2/20 0.32

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
SCHEMBL6405736 1.00 ITGB1 (0.43) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL29236097 0.81 ITGB1 (0.36) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL29236098 0.81 ITGB1 (0.36) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL26091573 0.81 ITGB1 (0.36) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL7395746 0.78 SLC1A2 (0.47) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL7395743 0.78 SLC1A2 (0.47) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL13544621 0.77 ITGB1 (0.43) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL24907168 0.76 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL4629492 0.76 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV
SCHEMBL7282443 0.76 ITGB1 (0.42) ITGB1ITGA5ITGB3ITGB2ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067355-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
WO-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
WO-2023067356-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
US-6858626-B2 Enzyme inhibitor; antiinflammatory agents; osteoporosis BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-02-22 US disclosed
US-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors XUE CHU-BIAO (US) 2003-07-24 US disclosed
US-6429213-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIS AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-06 US disclosed
EP-1087937-A1 CYCLIC HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2001-04-04 EP disclosed
WO-1999065867-A1 CYCLIC HYDROXAMIC ACIDS AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-12-23 WO 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-20030139597-A1 Novel Cyclic hydroxamic acid as metalloproteinase inhibitors MMP9, MMP2, MMP25 ITGB1 1779/4885ITGA5 1653/4885ITGB3 2981/4885

“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.