SCHEMBL4099239

SCHEMBL4099239

Cc1c([C@@H](C)N(C)[S@+]([O-])C(C)(C)C)sc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
GPR3 P46089 1/20 0.31
PRNP P04156 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL4099235 1.00 ALOX5 (0.35) ALOX5GPR3PRNPRXFP1
SCHEMBL13813449 0.75 ALOX5 (0.36) ALOX5GPR3PRNPRXFP1
SCHEMBL13799997 0.74 GPR3 (0.32) ALOX5GPR3PRNPRXFP1
SCHEMBL12425595 0.70 GPR3 (0.46) ALOX5GPR3PRNPRXFP1
SCHEMBL4094454 0.70 HCRTR1 (0.32)
SCHEMBL4093915 0.69 GPR3 (0.44) ALOX5GPR3PRNPRXFP1
SCHEMBL28667430 0.68
SCHEMBL5689250 0.67 ALOX5 (0.73) ALOX5
SCHEMBL4099685 0.65 GPR3 (0.40) ALOX5GPR3PRNPRXFP1
SCHEMBL22320228 0.65 GPR3 (0.40) ALOX5GPR3PRNPRXFP1

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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 US disclosed
US-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents DEBIOPHARM INTERNATIONAL SA (CH) 2009-06-18 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-20090156578-A1 3-Heterocyclylacrylamide Compounds as Fab I Inhibitors and Antibacterial Agents GAA, TFPI, DBI ALOX5 2681/4885GPR3 4277/4885PRNP 3301/4885

“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.