SCHEMBL17822352

SCHEMBL17822352

O=C(O)[C@H](Cc1ccc(OC(=O)N2CCCC2)cc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.55
MMP9 P14780 7/20 0.55
ADAMTS4 O75173 1/20 0.55
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ITGB1 P05556 2/20 0.51
ITGA4 P13612 2/20 0.51
ITGB7 P26010 2/20 0.51
ADAMTS5 Q9UNA0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
MMP1 P03956 1/20 0.50
MMP3 P08254 1/20 0.50
MMP7 P09237 1/20 0.50
MMP13 P45452 1/20 0.50

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
SCHEMBL19665787 1.00 MMP2 (0.55) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL19661136 0.81 ITGB1 (0.66) MMP2MMP9LMNAITGB1ITGA4
SCHEMBL17833024 0.81 ITGB1 (0.66) MMP2MMP9LMNAITGB1ITGA4
SCHEMBL6429531 0.81 ITGB1 (0.66) MMP2MMP9LMNAITGB1ITGA4
SCHEMBL19678647 0.81 ITGB1 (0.66) MMP2MMP9LMNAITGB1ITGA4
SCHEMBL23519701 0.81 ITGB1 (0.66) MMP2MMP9LMNAITGB1ITGA4
SCHEMBL19639190 0.81 ITGB1 (0.66) MMP2MMP9LMNAITGB1ITGA4
SCHEMBL19678622 0.81 ITGB1 (0.66) MMP2MMP9LMNAITGB1ITGA4
SCHEMBL21955605 0.80 ITGB1 (0.65) MMP2MMP9LMNAITGB1ITGA4
SCHEMBL23519442 0.79 ITGB1 (0.47) MEN1KMT2ALMNASMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348375-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS COMMW SCIENT IND RES ORG (AU) 2017-12-07 US disclosed
CN-107405331-A Migrated using the integrin antagonists of α 9 from stem cell tabernacle and discharge HSC 联邦科学和工业研究组织 2017-11-28 CN disclosed
EP-3229797-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS Commonwealth Scientific and Industrial Research Organisation (AU) 2017-10-18 EP disclosed
WO-2016090403-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-06-16 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-20170348375-A1 DISLODGEMENT AND RELEASE OF HSC FROM THE BONE MARROW STEM CELL NICHE USING ALPHA9 INTEGRIN ANTAGONISTS CXCL12, BST2, CCR9 MMP2 1492/4885MMP9 156/4885ADAMTS4 1858/4885

“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.