SCHEMBL12313005

SCHEMBL12313005

CCC(C)(C)CNC(=O)[C@H](C)Cl

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.30
TSHR P16473 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
SCHEMBL13575309 1.00 SMN1; SMN2 (0.32) SMN1; SMN2HSD17B10L3MBTL1USP2TSHR
SCHEMBL13575316 1.00 SMN1; SMN2 (0.32) SMN1; SMN2HSD17B10L3MBTL1USP2TSHR
SCHEMBL21166397 0.84 L3MBTL1 (0.31) L3MBTL1USP2TSHR
SCHEMBL25563107 0.83 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10USP2TSHR
SCHEMBL18431517 0.82 CA1 (0.33)
SCHEMBL18867108 0.82 CA1 (0.33)
SCHEMBL9004535 0.81 MMP1 (0.35) L3MBTL1
SCHEMBL9004534 0.81 MMP1 (0.35) L3MBTL1
SCHEMBL9004533 0.81 MMP1 (0.35) L3MBTL1
SCHEMBL22420077 0.79 EPHX1 (0.37)

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-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2013-03-21 US disclosed
US-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2011-09-22 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-20110230476-A1 PI3 KINASE INHIBITORS AND USES THEREOF PIK3CA, PIK3CB, PIK3C2B SMN1; SMN2 3609/4885HSD17B10 2153/4885L3MBTL1 1825/4885
US-20130072469-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 SMN1; SMN2 2352/4885HSD17B10 223/4885L3MBTL1 3899/4885

“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.