SCHEMBL17833223

SCHEMBL17833223

COC(=O)[C@H](Cc1ccc(OC(=O)N2CCCC2)cc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.60
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
PREP P48147 1/20 0.50
ATM Q13315 1/20 0.50
YAP1 P46937 3/20 0.49
KMT2A Q03164 2/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
CTSL P07711 1/20 0.48
CTSK P43235 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL19639228 1.00 CTRB1 (0.60) CTRB1NPSR1ALDH1A1KDM4ELMNA
SCHEMBL19639223 0.89 CTRB1 (0.67) CTRB1NPSR1ALDH1A1KDM4ELMNA
SCHEMBL19678646 0.88 MMEL1 (0.49) CTRB1ALDH1A1L3MBTL1ATMYAP1
SCHEMBL630484 0.84 CTRB1 (0.56) CTRB1NPSR1ALDH1A1KDM4ELMNA
SCHEMBL629894 0.84 CTRB1 (0.56) CTRB1NPSR1ALDH1A1KDM4ELMNA
SCHEMBL17822339 0.84 ITGB3 (0.57) ALDH1A1YAP1KMT2ATSHRMEN1
SCHEMBL17822338 0.84 ITGB3 (0.57) ALDH1A1YAP1KMT2ATSHRMEN1
SCHEMBL10346855 0.83 CTRB1 (0.62) CTRB1NPSR1ALDH1A1KDM4ELMNA
SCHEMBL23499864 0.83 ITGB1 (0.56) LMNAYAP1KMT2AMEN1SMN1; SMN2
SCHEMBL19639216 0.83 ITGB1 (0.56) LMNAYAP1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107206085-B Using alpha9Migration and release of HSCs for integrin antagonists and CXCR4 antagonists 联邦科学和工业研究组织 2022-01-28 CN 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
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-20170340693-A1 DISLODGEMENT AND RELEASE OF HSC USING ALPHA 9 INTEGRIN ANTAGONIST AND CXCR4 ANTAGONIST COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-11-30 US disclosed
US-20170340693-A1 DISLODGEMENT AND RELEASE OF HSC USING ALPHA 9 INTEGRIN ANTAGONIST AND CXCR4 ANTAGONIST COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-11-30 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 (2 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 CTRB1 2139/4885NPSR1 757/4885ALDH1A1 401/4885
US-20170340693-A1 DISLODGEMENT AND RELEASE OF HSC USING ALPHA 9 INTEGRIN ANTAGONIST AND CXCR4 ANTAGONIST CXCL12, CXCR4, CCR9 CTRB1 2751/4885NPSR1 482/4885ALDH1A1 421/4885

“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.