SCHEMBL11954522

SCHEMBL11954522

COC(=O)[C@@]1(C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 1/20 0.35
CTSK P43235 1/20 0.34
EPHX1 P07099 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
HSD11B1 P28845 1/20 0.33
NR1H2 P55055 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL11954515 1.00 USP2 (0.38) USP2SMN1; SMN2EPHX2CTSKEPHX1
SCHEMBL31078891 1.00 USP2 (0.38) USP2SMN1; SMN2EPHX2CTSKEPHX1
SCHEMBL10039817 0.90 GRIN2B (0.40) USP2SMN1; SMN2EPHX2CTSKEPHX1
SCHEMBL3000664 0.90 GRIN2B (0.40) USP2SMN1; SMN2EPHX2CTSKEPHX1
SCHEMBL3000663 0.90 GRIN2B (0.40) USP2SMN1; SMN2EPHX2CTSKEPHX1
SCHEMBL24999580 0.89 JAK3 (0.39) USP2SMN1; SMN2EPHX2CTSKEPHX1
SCHEMBL14486969 0.88 GPR119 (0.36) USP2SMN1; SMN2EPHX2CTSKEPHX1
SCHEMBL31105397 0.85 GRIN2B (0.40) USP2SMN1; SMN2EPHX2CTSKEPHX1
SCHEMBL31078985 0.85 GRIN2B (0.40) USP2SMN1; SMN2EPHX2CTSKEPHX1
SCHEMBL4249117 0.83 USP2 (0.40) USP2SMN1; SMN2EPHX2CTSKGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC USP2 3514/4885SMN1; SMN2 3302/4885EPHX2 2184/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC USP2 3514/4885SMN1; SMN2 3302/4885EPHX2 2184/4885

“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.