SCHEMBL5623568

SCHEMBL5623568

COC(=S)NCc1cn(-c2ccc(N3CCC4(CC3)OCCO4)c(F)c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
MIF P14174 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
RXRA P19793 9/20 0.37
GRIN1 Q05586 9/20 0.37
GRIN2B Q13224 9/20 0.37
LGMN Q99538 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
IDO1 P14902 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL5624086 0.88 MAOB (0.46) NOTUMMIFCA1CA2CA4
SCHEMBL5624221 0.85 MAOA (0.43) NOTUMMIFCA1CA2CA4
SCHEMBL6528567 0.84 MIF (0.42) NOTUMMIFCA1CA2CA4
SCHEMBL6528013 0.83 NOTUM (0.46) NOTUMMIFCA1CA2CA4
SCHEMBL14527196 0.83 NOTUM (0.41) NOTUMMIFCA1CA2CA4
SCHEMBL5625779 0.83 NOTUM (0.43) NOTUMMIFALDH1A1CA1CA2
SCHEMBL14527055 0.82 NOTUM (0.40) NOTUMMIFCA1CA2CA4
SCHEMBL14527053 0.82 NOTUM (0.42) NOTUMMIFCA1CA2CA4
SCHEMBL14527052 0.82 NOTUM (0.40) NOTUMMIFCA1CA2CA4
SCHEMBL5623205 0.82 MAOB (0.47) NOTUMMIFRXRAGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 US disclosed
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 US disclosed
US-7202254-B2 Antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED (IN) 2007-04-10 US disclosed
US-20050209223-A1 Novel antibacterial compounds: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LIMITED 2005-09-22 US disclosed
US-6914058-B2 1-(p-(thiomorpholino)phenyl)-1,2,3-triazole derivatives DR. REDDY'S LABORATORIES, LIMITED (IN) 2005-07-05 US disclosed
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LIMITED 2005-05-26 US disclosed
EP-1467977-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. Dr. Reddy's Laboratories Ltd. (IN) 2004-10-20 EP disclosed
WO-2003059894-A1 NOVEL ANTIBACTERIAL COMPOUNDS:PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. DR.REDDY'S LABORATORIES LTD. (IN) 2003-07-24 WO 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 (2 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-20050209223-A1 Novel antibacterial compounds: process for their preparation and pharmaceutical compositions containing them CYP3A4, CYP3A43, CYP3A5 NOTUM 4524/4885MIF 1018/4885ALDH1A1 2745/4885
US-20050113347-A1 NOVEL ANTIBACTERIAL COMPOUNDS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CYP3A4, CYP3A43, CYP3A5 NOTUM 4524/4885MIF 1018/4885ALDH1A1 2745/4885

“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.