SCHEMBL9937144

SCHEMBL9937144

CC(C)(C)OC(=O)NC(C(=O)O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
CTSK P43235 4/20 0.44
CTSL P07711 4/20 0.42
CTSB P07858 3/20 0.42
CTSD P07339 1/20 0.40
CTSS P25774 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
RECQL P46063 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CYP2D6 P10635 1/20 0.36
PREP P48147 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
SCHEMBL1503616 0.81 CTSK (0.45) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL2096750 0.81 CTSK (0.45) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL3820779 0.79 CTSK (0.47) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL5354771 0.75 ALDH1A1 (0.48) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL996283 0.75 MEN1 (0.42) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL996282 0.75 MEN1 (0.42) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL4360723 0.75 ALDH1A1 (0.48) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL5142965 0.74 ALDH1A1 (0.47) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL5451145 0.74 SMN1; SMN2 (0.54) SMN1; SMN2USP2CTSKCTSLCTSB
SCHEMBL5441244 0.74 SMN1; SMN2 (0.54) SMN1; SMN2USP2CTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
CN-103347874-B dimeric IAP inhibitors NOVARTIS AG (CH) 2014-10-29 CN disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
CN-103347874-A Dimeric iap inhibitors NOVARTIS AG 2013-10-09 CN disclosed
CN-103261186-A Dimeric IAP inhibitors NOVARTIS AG 2013-08-21 CN disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 WO disclosed
WO-2012080260-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 SMN1; SMN2 1002/4885USP2 499/4885CTSK 1661/4885
US-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 SMN1; SMN2 1323/4885USP2 533/4885CTSK 1818/4885

“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.