SCHEMBL5358461

SCHEMBL5358461

CC(=S)NC[C@H]1CN(c2ccc(N3CCN(C)C3=O)c(F)c2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.62
MAOA P21397 4/20 0.62
PTGS1 P23219 2/20 0.62
SDHA P31040 2/20 0.62
LMNA P02545 1/20 0.62
CALML3 P27482 1/20 0.62
F10 P00742 12/20 0.53

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
SCHEMBL5390494 0.92 MAOA (0.73) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14580198 0.92 MAOB (0.59) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5390741 0.91 MAOB (0.61) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5386209 0.89 MAOB (0.60) MAOBMAOAPTGS1SDHALMNA
SCHEMBL14597057 0.88 MAOB (0.55) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6040329 0.86 MAOB (0.64) MAOBMAOAPTGS1SDHALMNA
SCHEMBL6040325 0.86 MAOB (0.64) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5403406 0.86 CALML3 (0.56) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5404129 0.85 MAOB (0.66) MAOBMAOAPTGS1SDHALMNA
SCHEMBL5358456 0.85 MAOB (0.51) MAOBMAOAPTGS1SDHALMNA

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-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7183301-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S RESEARCH FOUNDATION (IN) 2007-02-27 US disclosed
US-7160912-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR.REDDY'S LABORATORIES LTD. (IN) 2007-01-09 US disclosed
US-7160912-B2 Heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR.REDDY'S LABORATORIES LTD. (IN) 2007-01-09 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-04 US disclosed
US-20060293315-A1 Intermediates of novel heterocyclic compounds having antibacterial activity and process for their preparation DR. REDDY'S LABORATORIES LTD. (IN) 2006-12-28 US disclosed
US-20040102494-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2004-05-27 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 (3 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-20040102494-A1 Novel heterocyclic compounds having antibacterial activity: process for their preparation and pharmaceutical compositions containing them CYP51A1, OXA1L, LSS MAOB 639/4885MAOA 756/4885PTGS1 476/4885
US-20070004712-A1 Salts of novel heterocyclic compounds having antibacterial activity OXA1L, LSS, MRPL21 MAOB 1728/4885MAOA 2014/4885PTGS1 1221/4885
US-20060293315-A1 Intermediates of novel heterocyclic compounds having antibacterial activity and process for their preparation CYP51A1, OXA1L, LSS MAOB 692/4885MAOA 896/4885PTGS1 842/4885

“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.