SCHEMBL17822348

SCHEMBL17822348

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.53
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
POLB P06746 2/20 0.45
MEN1 O00255 1/20 0.45
MMP1 P03956 1/20 0.45
ADAM17 P78536 1/20 0.45
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ANPEP P15144 1/20 0.44
MMP9 P14780 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL19665777 1.00 MMP2 (0.53) MMP2L3MBTL1ALDH1A1KMT2ARAB9A
SCHEMBL5497278 1.00 MMP2 (0.53) MMP2L3MBTL1ALDH1A1KMT2ARAB9A
SCHEMBL5497274 1.00 MMP2 (0.53) MMP2L3MBTL1ALDH1A1KMT2ARAB9A
SCHEMBL5497267 1.00 MMP2 (0.53) MMP2L3MBTL1ALDH1A1KMT2ARAB9A
SCHEMBL17147372 0.87 MAPT (0.48) L3MBTL1ALDH1A1KMT2ACA12CA9
SCHEMBL15833066 0.87 MAPT (0.48) L3MBTL1ALDH1A1KMT2ACA12CA9
SCHEMBL9379038 0.87 POLB (0.58) MMP2L3MBTL1ALDH1A1KMT2ACA12
SCHEMBL9215362 0.87 POLB (0.58) MMP2L3MBTL1ALDH1A1KMT2ACA12
SCHEMBL21551179 0.87 POLB (0.58) MMP2L3MBTL1ALDH1A1KMT2ACA12
SCHEMBL11458196 0.87 POLB (0.58) MMP2L3MBTL1ALDH1A1KMT2ACA12

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
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 1492/4885L3MBTL1 568/4885ALDH1A1 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.