SCHEMBL15715693

SCHEMBL15715693

CCCCOC(=O)[C@@H]1[C@@H](O)CCN1C(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA2 Q9HCG7 3/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 2/20 0.34
TSHR P16473 1/20 0.34
BCHE P06276 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GBA1 P04062 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
FKBP1A P62942 3/20 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
SCHEMBL6052893 0.91 GBA2 (0.45) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL6819738 0.91 GBA2 (0.45) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL25348025 0.91 GBA2 (0.47) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL15715217 0.91 GBA2 (0.47) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL17154832 0.87 LMNA (0.43) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL17674467 0.84 GBA2 (0.44) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL26727695 0.83 ALDH1A1 (0.39) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL4319323 0.82 LMNA (0.36) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL4748921 0.81 LMNA (0.46) GBA2LMNAPOLBSMN1; SMN2ALDH1A1
SCHEMBL7455919 0.81 LMNA (0.43) GBA2LMNAPOLBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9605022-B2 Macrocyclic compounds for inhibition of inhibitors of apoptosis ENSEMBLE THERAPEUTICS CORPORATION (US) 2017-03-28 US disclosed
US-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-08 US disclosed
WO-2014074665-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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-20150284427-A1 MACROCYCLIC COMPOUNDS FOR INHIBITION OF INHIBITORS OF APOPTOSIS BAX, API5, BCL2 GBA2 3519/4885LMNA 303/4885POLB 2108/4885

“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.