SCHEMBL12733474

SCHEMBL12733474

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TAS1R2 Q8TE23 3/20 0.36
PIN1 Q13526 1/20 0.34
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 2/20 0.33
PEPD P12955 1/20 0.32
XPNPEP1 Q9NQW7 1/20 0.32
ALB P02768 1/20 0.31
LMNA P02545 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
DPP4 P27487 3/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
HTR2A P28223 1/20 0.30
ADRA1A P35348 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL12733471 1.00 TAS1R3 (0.36) TAS1R3TAS1R1TAS1R2PIN1CYP2C9
SCHEMBL12733488 0.83 CYP2C9 (0.34) TAS1R3TAS1R1TAS1R2CYP2C9CYP3A4
SCHEMBL12733486 0.83 CYP2C9 (0.34) TAS1R3TAS1R1TAS1R2CYP2C9CYP3A4
SCHEMBL12733482 0.78 DPP4 (0.35) CYP3A4CYP2C19LMNADPP4DPP8
SCHEMBL12733475 0.78 DPP4 (0.35) CYP3A4CYP2C19LMNADPP4DPP8
SCHEMBL2501850 0.75 PEPD (0.34) PIN1PEPDXPNPEP1
SCHEMBL15745572 0.74 PEPD (0.33) PIN1CYP2C9CYP3A4CYP2C19PEPD
SCHEMBL10120780 0.73 DPP4 (0.33) DPP4DPP8DPP9
SCHEMBL12733476 0.73 POLB (0.42) DPP4DPP8ALDH1A1
SCHEMBL2604730 0.72 CYP3A4 (0.44) TAS1R3TAS1R1TAS1R2CYP2C9CYP3A4

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 9 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-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 TAS1R3 1094/4885TAS1R1 772/4885TAS1R2 753/4885
US-20110098235-A1 ANTINEOPLASTIC PEPTIDES BCL2A1, CSTB, BAK1 TAS1R3 1113/4885TAS1R1 696/4885TAS1R2 704/4885

“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.