SCHEMBL9978161

SCHEMBL9978161

CC(C)(C)OC(=O)N1CCN2C(=O)COC[C@@H]2C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.44
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RECQL P46063 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
PIK3CD O00329 2/20 0.38
GPR119 Q8TDV5 1/20 0.37
TP53 P04637 1/20 0.37
FPR2 P25090 2/20 0.37
PIK3R1 P27986 3/20 0.37
PIK3CA P42336 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 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
SCHEMBL994944 1.00 USP30 (0.44) USP30USP2SMN1; SMN2RECQLSMARCA2
SCHEMBL3772890 1.00 USP30 (0.44) USP30USP2SMN1; SMN2RECQLSMARCA2
SCHEMBL2943987 0.81 USP30 (0.43) USP30USP2SMN1; SMN2RECQLGPR119
SCHEMBL2954128 0.81 USP30 (0.43) USP30USP2SMN1; SMN2RECQLGPR119
SCHEMBL780002 0.81 USP30 (0.43) USP30USP2SMN1; SMN2RECQLGPR119
SCHEMBL23422324 0.80 USP30 (0.47) USP30USP2SMN1; SMN2SMARCA2SMARCA4
SCHEMBL14815454 0.80 USP30 (0.47) USP30USP2SMN1; SMN2SMARCA2SMARCA4
SCHEMBL31027198 0.80 USP30 (0.47) USP30USP2SMN1; SMN2SMARCA2SMARCA4
SCHEMBL1441275 0.79 USP2 (0.48) USP30USP2SMN1; SMN2RECQLPIK3CD
SCHEMBL3774805 0.79 PIK3CD (0.39) SMN1; SMN2PIK3CD

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 12 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
EP-2651932-B1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 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-8648070-B2 Bicyclic ring system substituted sulfonamide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648070-B2 Bicyclic ring system substituted sulfonamide 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
US-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
US-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 US disclosed
WO-2012080457-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 WO 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 (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-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, SULT2A1 USP30 1444/4885USP2 2045/4885SMN1; SMN2 2516/4885
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, CCR1 USP30 1787/4885USP2 3017/4885SMN1; SMN2 3342/4885

“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.