SCHEMBL17833288

SCHEMBL17833288

COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.61
ANPEP P15144 2/20 0.61
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.47
MMP1 P03956 3/20 0.47
MMP3 P08254 2/20 0.47
MMP7 P09237 2/20 0.47
MMP9 P14780 1/20 0.46
ADAM17 P78536 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL5418223 1.00 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL9505317 1.00 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL5418227 1.00 MMP2 (0.61) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL2227030 0.88 KMT2A (0.64) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL21551113 0.88 KMT2A (0.64) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL8106846 0.88 KMT2A (0.64) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL1734641 0.87 MMP2 (0.68) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL1734643 0.87 MMP2 (0.68) MMP2ANPEPALDH1A1KMT2AL3MBTL1
SCHEMBL8498279 0.87 MMP1 (0.62) MMP2ALDH1A1POLBMMP1MMP3
SCHEMBL8144145 0.87 MMP1 (0.62) MMP2ALDH1A1POLBMMP1MMP3

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 3 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
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
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 1492/4885ANPEP 748/4885ALDH1A1 401/4885

“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.