SCHEMBL12733486

SCHEMBL12733486

C[C@@H](NC(=O)[C@@H]1C[C@H](Cl)CN1C)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
TAS1R2 Q8TE23 3/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALB P02768 1/20 0.32
LMNA P02545 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL12733488 1.00 CYP2C9 (0.34) CYP2C9CYP2C19CYP3A4TAS1R3TAS1R1
SCHEMBL12733471 0.83 TAS1R3 (0.36) CYP2C9CYP2C19CYP3A4TAS1R3TAS1R1
SCHEMBL12733474 0.83 TAS1R3 (0.36) CYP2C9CYP2C19CYP3A4TAS1R3TAS1R1
SCHEMBL12733489 0.77 L3MBTL1 (0.34) CYP2C19CYP3A4ALDH1A1L3MBTL1LMNA
SCHEMBL12733495 0.77 L3MBTL1 (0.34) CYP2C19CYP3A4ALDH1A1L3MBTL1LMNA
SCHEMBL2604729 0.73 CYP3A4 (0.44) CYP2C9CYP2C19CYP3A4TAS1R3TAS1R1
SCHEMBL2604730 0.73 CYP3A4 (0.44) CYP2C9CYP2C19CYP3A4TAS1R3TAS1R1
SCHEMBL12733491 0.72 POLB (0.43) ALDH1A1L3MBTL1HPGDKDM4E
SCHEMBL13121053 0.70 HTR2A (0.32) CYP2C9HTR2AADRA1AALDH1A1L3MBTL1
SCHEMBL29252858 0.68 ATM (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-8440626-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2013-05-14 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES ABBOTT GMBH & CO. KG (DE) 2011-04-28 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-7807779-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2010-10-05 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-20080234205-A1 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 US disclosed
US-7368528-B2 Antineoplastic peptides ABBOTT GMBH & CO. KG (DE) 2008-05-06 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-20080234205-A1 Antineoplastic peptides BCL2A1, ETF1, BAK1 CYP2C9 4343/4885CYP2C19 4204/4885CYP3A4 4708/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 CYP2C9 4558/4885CYP2C19 4430/4885CYP3A4 4804/4885

“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.