SCHEMBL13799997

SCHEMBL13799997

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

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.32
ALOX5 P09917 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
PRNP P04156 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
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
SCHEMBL2503895 0.85 TRPM8 (0.34) GPR3ALOX5MEN1MAPTKMT2A
SCHEMBL2504935 0.78 SLC9A1 (0.30)
SCHEMBL4099685 0.76 GPR3 (0.40) GPR3ALOX5PRNPRXFP1ALDH1A1
SCHEMBL4099681 0.76 GPR3 (0.40) GPR3ALOX5PRNPRXFP1ALDH1A1
SCHEMBL13813423 0.74 GPR3 (0.33) GPR3ALOX5MEN1MAPTKMT2A
SCHEMBL4099239 0.74 ALOX5 (0.35) GPR3ALOX5PRNPRXFP1
SCHEMBL4099235 0.74 ALOX5 (0.35) GPR3ALOX5PRNPRXFP1
SCHEMBL13041056 0.73 ALOX5 (0.41) ALOX5MAPTALDH1A1
SCHEMBL3742330 0.73 ALOX5 (0.41) ALOX5MAPTALDH1A1
SCHEMBL12425595 0.71 GPR3 (0.46) GPR3ALOX5MEN1MAPTKMT2A

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 2 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

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 GPR3 4277/4885ALOX5 2681/4885MEN1 3193/4885

“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.