SCHEMBL2401185

SCHEMBL2401185

COC(=O)[C@@H]1CCC(NC(=O)O)(C(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.31
CHRNB2 P17787 2/20 0.31
CHRNA4 P43681 2/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CYP1A2 P05177 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL2541812 0.77
SCHEMBL1583500 0.77
SCHEMBL2146082 0.77
SCHEMBL12540659 0.76 POLB (0.35) SMN1; SMN2
SCHEMBL2939787 0.76
SCHEMBL1015506 0.75
SCHEMBL17085695 0.74 CHRNB2 (0.33) SMN1; SMN2CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL17085680 0.73 MME (0.33)
SCHEMBL963002 0.73
SCHEMBL154523 0.73 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US 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-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 SMN1; SMN2 2779/4885TP53 1904/4885GAA 1543/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 SMN1; SMN2 2779/4885TP53 1904/4885GAA 1543/4885

“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.