SCHEMBL9979972

SCHEMBL9979972

COC(=O)C1CN(C(=O)OC(C)(C)C)CCS1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.40
PDE4B Q07343 1/20 0.39
NR1H2 P55055 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
PREP P48147 1/20 0.37
RECQL P46063 1/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
PTPN2 P17706 1/20 0.36

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
SCHEMBL160579 0.85 USP2 (0.42) USP2SMN1; SMN2EPHX1NR1H2ALDH1A1
SCHEMBL30238283 0.85 ALDH1A1 (0.41) USP2SMN1; SMN2NR1H2ALDH1A1MAPT
SCHEMBL31616260 0.84 USP2 (0.40) USP2SMN1; SMN2EPHX1PDE4BNR1H2
SCHEMBL14242317 0.84 USP2 (0.41) USP2SMN1; SMN2EPHX1PDE4BNR1H2
SCHEMBL26249021 0.79 ALDH1A1 (0.39) USP2SMN1; SMN2EPHX1PDE4BNR1H2
SCHEMBL14050902 0.78 ALDH1A1 (0.39) USP2SMN1; SMN2EPHX1NR1H2ALDH1A1
SCHEMBL18275027 0.76 HPGD (0.50) USP2SMN1; SMN2EPHX1PDE4BNR1H2
SCHEMBL27189660 0.75 USP2 (0.41) USP2SMN1; SMN2EPHX1NR1H2ALDH1A1
SCHEMBL305388 0.75 NR1H2 (0.50) USP2SMN1; SMN2EPHX1NR1H2ALDH1A1
SCHEMBL31616175 0.74 NR1H2 (0.40) USP2SMN1; SMN2EPHX1NR1H2ALDH1A1

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
EP-2651891-B1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, CCR1 USP2 3017/4885SMN1; SMN2 3342/4885EPHX1 466/4885

“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.