SCHEMBL3513086

SCHEMBL3513086

CCN(C(=O)O)C(=S)Nc1ccc(Oc2cccc(NC(=O)OC(C)(C)C)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 12/20 0.41
SIRT2 Q8IXJ6 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MTNR1B P49286 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL3637237 0.85 MAPK14 (0.36) ALDH1A1RAB9AKDR
SCHEMBL3642174 0.85 BRAF (0.40) CDK8NPC1RAB9ASMN1; SMN2KDR
SCHEMBL2855460 0.82 CDK8 (0.45) CDK8SIRT2POLBNPC1RAB9A
SCHEMBL3804870 0.81 CDK8 (0.51) CDK8ALDH1A1MAPK1HTTRAB9A
SCHEMBL3642717 0.81 CDK8 (0.40) CDK8NPC1RAB9ATP53SMN1; SMN2
SCHEMBL30435041 0.77 CDK8 (0.48) CDK8
SCHEMBL4880831 0.76 HTT (0.51) CDK8ALDH1A1MAPK1HTTNPC1
SCHEMBL25129019 0.76 CDK8 (0.47) CDK8SIRT2MITFALDH1A1POLB
SCHEMBL4889660 0.75 CDK8 (0.67) CDK8
SCHEMBL1259491 0.75 TSHR (0.44) MITFALDH1A1NPC1RAB9ATP53

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-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 CDK8 197/4885SIRT2 1258/4885MITF 118/4885

“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.