SCHEMBL11956841

SCHEMBL11956841

C[C@H]1C(CN(C)Cc2nccs2)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)C12

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.35
PTGS1 P23219 2/20 0.33
ESR1 P03372 1/20 0.33
PDE4A P27815 1/20 0.33
XIAP P98170 1/20 0.32
FAP Q12884 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2D6 P10635 1/20 0.30
OPRK1 P41145 1/20 0.30
ABCC2 Q92887 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
SCHEMBL11948525 1.00 CACNA1C (0.35) CACNA1CPTGS1ESR1PDE4AXIAP
SCHEMBL13594273 0.85 FAP (0.32) XIAPFAPKMT2A
SCHEMBL13329882 0.84 ACHE (0.31) KDM4EMAPTATMACHEMAOB
SCHEMBL13965340 0.80 ADRB2 (0.33) KDM4EMAPTLMNAKMT2AMEN1
SCHEMBL13461672 0.80 ESR1 (0.37) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL11948533 0.80 ESR1 (0.37) CACNA1CPTGS1ESR1PDE4AKDM4E
SCHEMBL11948536 0.80 CACNA1C (0.36) CACNA1CPTGS1ESR1PDE4AFAP
SCHEMBL13461902 0.80 CACNA1C (0.36) CACNA1CPTGS1ESR1PDE4AFAP
SCHEMBL11957085 0.78 FAP (0.41) CACNA1CPTGS1ESR1PDE4AFAP
SCHEMBL11948520 0.78 CACNA1C (0.42) CACNA1CPTGS1ESR1PDE4AFAP

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-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation FOB SYNTHESIS, INC. (US) 2012-11-22 US disclosed
US-8232268-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2012-07-31 US disclosed
US-7683049-B2 Carbapenem antibacterials with gram-negative activity and processes for their preparation FOB SYNTHESIS, INC. (US) 2010-03-23 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 (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-20120296084-A1 Carbapenem Antibacterials with Gram-Negative Activity and Processes for Their Preparation MGAM, GSK3B, GSK3A CACNA1C 3357/4885PTGS1 2100/4885ESR1 4035/4885

“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.