SCHEMBL5196757

SCHEMBL5196757

C[C@H]1C(c2csc(S)n2)=CCN1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 11/20 0.33
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 1/20 0.31
TACR2 P21452 3/20 0.31
TACR1 P25103 2/20 0.31
KCNH2 Q12809 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
SCHEMBL5195446 0.82
SCHEMBL5195521 0.81
SCHEMBL5195025 0.81
SCHEMBL5196863 0.80
SCHEMBL5195275 0.79
SCHEMBL5199013 0.78
SCHEMBL5196167 0.74
SCHEMBL5197905 0.74
SCHEMBL5196944 0.74
SCHEMBL5197839 0.71 TACR3 (0.32) TACR3CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340756-B1 NOVEL BETA-LACTAM COMPOUNDS AND PROCESS FOR PRODUCING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2007-10-10 EP disclosed
US-7163936-B2 β-lactam compounds and process for producing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-01-16 US disclosed
US-20040102433-A1 Novel beta-lactam compounds and process for producing the same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-05-27 US disclosed
EP-1340756-A1 NOVEL BETA-LACTAM COMPOUNDS AND PROECSS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2003-09-03 EP 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-20040102433-A1 Novel beta-lactam compounds and process for producing the same MRPL21, MCRS1, RPS4X TACR3 2291/4885CYP3A4 70/4885CYP2C9 331/4885

“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.