SCHEMBL567133

SCHEMBL567133

O=C1/C(=C/O)CSc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
AURKA O14965 1/20 0.42
CHEK2 O96017 1/20 0.42
CDK1 P06493 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
CSNK2A1 P68400 1/20 0.42
MARK2 Q7KZI7 1/20 0.42
MIF P14174 1/20 0.41
MAOB P27338 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CTSL P07711 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL567134 1.00 NOTUM (0.46) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL10031344 1.00 NOTUM (0.46) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL16138598 0.86 NOTUM (0.42) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL566167 0.86 AURKA (0.44) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL567348 0.86 NOTUM (0.42) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL566622 0.86 AURKA (0.44) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL566166 0.86 AURKA (0.44) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL567350 0.86 NOTUM (0.42) NOTUMAURKACHEK2CDK1PIM1
SCHEMBL10369692 0.81 EPHX2 (0.45) MIFMAOBKDM4EMAOAMEN1
SCHEMBL11492158 0.81 KDM4E (0.55) MIFMAOBKDM4EMAOAMEN1

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
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG GENGLIANG (CN) 2014-10-02 US disclosed
EP-2423213-B1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF YANG GENGLIANG (CN) 2014-01-08 EP disclosed
EP-2423213-A1 PREPARATION AND USE OF NOVEL ANTIBIOTIC, ANTICANCER COMPOUNDS AND DERIVATIVES THEREOF Yang, Gengliang (CN) 2012-02-29 EP disclosed
US-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES YANG, Gengliang (CN) 2012-02-09 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 (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-20120035206-A1 PREPARATION AND APPLICATION OF NOVEL ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, NRDC, SOST NOTUM 765/4885AURKA 3853/4885CHEK2 4280/4885
US-20140296285-A1 PREPARATION AND APPLICATION OF THE NEW ANTIBACTERIAL AND ANTICANCER COMPOUNDS AND THEIR DERIVATIVES MRPL21, MCL1, MYC NOTUM 3095/4885AURKA 413/4885CHEK2 639/4885

“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.