SCHEMBL2204271

SCHEMBL2204271

COc1cc(C)c(S(=O)(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)NCC(OC)OC)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.41
PSMB8 P28062 2/20 0.40
PSMB5 P28074 2/20 0.37
MMP7 P09237 1/20 0.35
ITGAV P06756 4/20 0.34
AVPR1B P47901 4/20 0.34
AVPR1A P37288 3/20 0.34
MMP1 P03956 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGB5 P18084 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL2204267 1.00 BMP1 (0.41) BMP1PSMB8PSMB5MMP7ITGAV
SCHEMBL2204277 0.86 BMP1 (0.46) BMP1PSMB8PSMB5MMP7ITGAV
SCHEMBL2201978 0.84 BMP1 (0.43) BMP1PSMB8ITGAVMMP1ITGB3
SCHEMBL4177600 0.81 PSMB8 (0.48) PSMB8PSMB5
SCHEMBL4177606 0.81 PSMB8 (0.48) PSMB8PSMB5
SCHEMBL6440140 0.71 AVPR1B (0.48) AVPR1BAVPR1A
SCHEMBL14047889 0.69 BMP1 (0.36) BMP1
SCHEMBL6394294 0.67 ITGAV (0.45) BMP1ITGAV
SCHEMBL10118749 0.67 BRD4 (0.43)
SCHEMBL7354160 0.67 ITGAV (0.47) ITGAVMMP1ITGB3ITGB1ITGA2B

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-8278319-B2 Substituted spiroamine compounds GRUENENTHAL GMBH (DE) 2012-10-02 US disclosed
EP-2344457-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2011-07-20 EP disclosed
US-20100113417-A1 Substituted Spiroamine Compounds GRUENENTHAL GMBH (DE) 2010-05-06 US disclosed
WO-2010049146-A1 SUBSTITUTED SPIROAMINES Grünenthal GmbH (DE) 2010-05-06 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-20100113417-A1 Substituted Spiroamine Compounds BDKRB1, BDKRB2, REN BMP1 1617/4885PSMB8 1516/4885PSMB5 1472/4885

“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.