SCHEMBL12420353

SCHEMBL12420353

CN[C@@H](C)C(=O)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
POLB P06746 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
SCHEMBL14300996 1.00 L3MBTL1 (0.32) L3MBTL1GAAHSP90AA1MAPTGPR55
SCHEMBL10174635 1.00 L3MBTL1 (0.32) L3MBTL1GAAHSP90AA1MAPTGPR55
SCHEMBL14010448 0.76 SLC6A3 (0.42) L3MBTL1GAAHSP90AA1MAPTGPR55
SCHEMBL21120312 0.76 TDP1 (0.35) L3MBTL1GAAHSP90AA1MAPTGPR55
SCHEMBL14275444 0.76 TDP1 (0.35) L3MBTL1GAAHSP90AA1MAPTGPR55
SCHEMBL23065774 0.76 TDP1 (0.35) L3MBTL1GAAHSP90AA1MAPTGPR55
SCHEMBL8219435 0.76 CA2 (0.38) POLB
SCHEMBL14601332 0.76 SLC6A3 (0.42) L3MBTL1GAAHSP90AA1MAPTGPR55
SCHEMBL18653492 0.76 SLC6A3 (0.42) L3MBTL1GAAHSP90AA1MAPTGPR55
SCHEMBL3047902 0.75 ALDH1A1 (0.38)

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-10626144-B2 Peptide derivatives and uses thereof NOSOPHARM (FR) 2020-04-21 US disclosed
US-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 US disclosed
US-20110172193-A1 PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID JANSSEN PHARMACEUTICA NV (BE) 2011-07-14 US disclosed
US-20110172193-A1 PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID JANSSEN PHARMACEUTICA NV (BE) 2011-07-14 US disclosed
US-7598375-B2 Method of acylating maytansinol with chiral amino acids MILLENIUM PHARMACEUTICALS, INC. (US) 2009-10-06 US disclosed
US-20070037972-A1 For making maytansinoids with chiral amino acid side chains; maytansinoids may be conjugated to cell-binding agents such as antibodies and are useful therapeutics, especially for treatment of cancer; high yielding methods that avoid or reduce epimerization in coupling of side chain linker MILLENNIUM PHARMACEUTICALS, INC. 2007-02-15 US disclosed
US-20070037972-A1 For making maytansinoids with chiral amino acid side chains; maytansinoids may be conjugated to cell-binding agents such as antibodies and are useful therapeutics, especially for treatment of cancer; high yielding methods that avoid or reduce epimerization in coupling of side chain linker MILLENNIUM PHARMACEUTICALS, INC. 2007-02-15 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 (4 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-10626144-B2 Peptide derivatives and uses thereof VIP, IAPP, NGLY1 L3MBTL1 1817/4885GAA 1526/4885HSP90AA1 1678/4885
US-20110172193-A1 PRO-DRUGS OF (E)-7-(3-(2-AMINO-1-FLUOROETHYLIDENE)PIPERIDIN-1-YL)-1-CYCLOPROPYL-6-FLUORO-8-METHOXY-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLIC ACID ARFGAP1, ABCC1, FPR1 L3MBTL1 4510/4885GAA 740/4885HSP90AA1 1485/4885
US-20070037972-A1 For making maytansinoids with chiral amino acid side chains; maytansinoids may be conjugated to cell-binding agents such as antibodies and are useful therapeutics, especially for treatment of cancer; high yielding methods that avoid or reduce epimerization in coupling of side chain linker MRTO4, SLC43A1, SLC7A1 L3MBTL1 1431/4885GAA 2317/4885HSP90AA1 4202/4885
US-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 L3MBTL1 1817/4885GAA 1526/4885HSP90AA1 1678/4885

“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.