SCHEMBL17822338

SCHEMBL17822338

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 1/20 0.53
YAP1 P46937 3/20 0.52
CYP3A4 P08684 4/20 0.52
TSHR P16473 3/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
KMT2A Q03164 1/20 0.52
OPRK1 P41145 1/20 0.52
P2RX7 Q99572 6/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 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
SCHEMBL17822339 1.00 ITGB3 (0.57) ITGB3ITGA2BALDH1A1ALOX15YAP1
SCHEMBL2059183 0.85 ITGB3 (0.70) ITGB3ITGA2BP2RX7
SCHEMBL3637824 0.85 MEN1 (0.49) ITGB3ITGA2BALDH1A1ALOX15YAP1
SCHEMBL3637818 0.85 MEN1 (0.49) ITGB3ITGA2BALDH1A1ALOX15YAP1
SCHEMBL17833223 0.84 CTRB1 (0.60) ALDH1A1YAP1CYP3A4TSHRMEN1
SCHEMBL19639228 0.84 CTRB1 (0.60) ALDH1A1YAP1CYP3A4TSHRMEN1
SCHEMBL2059100 0.84 P2RX7 (0.59) ITGB3ITGA2BYAP1P2RX7
SCHEMBL2406036 0.82 ALDH1A1 (0.65) ITGB3ITGA2BALDH1A1ALOX15CYP3A4
SCHEMBL8569421 0.82 ALDH1A1 (0.65) ITGB3ITGA2BALDH1A1ALOX15CYP3A4
SCHEMBL19678646 0.82 MMEL1 (0.49) ALDH1A1YAP1CYP3A4TSHR

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 ITGB3 13/4885ITGA2B 8/4885ALDH1A1 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.