SCHEMBL7091310

SCHEMBL7091310

CCC(=O)c1sc(S(C)(=O)=O)c2c1CCc1cnn(C)c1-2

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.50
CDK8 P49336 3/20 0.50
CDK19 Q9BWU1 3/20 0.50
DRD4 P21917 9/20 0.46
DRD2 P14416 8/20 0.46
ALDH1A1 P00352 2/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL7060559 0.86 ALDH1A1 (0.62) CCNCCDK8CDK19DRD4DRD2
SCHEMBL15104852 0.82 CCNC (0.47) CCNCCDK8CDK19DRD4DRD2
SCHEMBL7093647 0.81 CCNC (0.76) CCNCCDK8CDK19DRD4DRD2
SCHEMBL7248682 0.79 DRD4 (0.52) CCNCCDK8CDK19DRD4DRD2
SCHEMBL7242612 0.78 DRD4 (0.51) CCNCCDK8CDK19DRD4DRD2
SCHEMBL7242397 0.78 CCNC (0.61) CCNCCDK8CDK19DRD4DRD2
SCHEMBL7095726 0.76 CCNC (0.56) CCNCCDK8CDK19DRD4DRD2
Hydrochloric Acid SCHEMBL7094343 0.73 CCNC (0.57) CCNCCDK8CDK19DRD4DRD2
SCHEMBL7248966 0.71 CCNC (0.50) CCNCCDK8CDK19DRD4DRD2
SCHEMBL7249835 0.71 CCNC (0.49) CCNCCDK8CDK19DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 US disclosed
EP-1268486-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
WO-2001074823-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 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 (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-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR CCNC 2012/4885CDK8 3614/4885CDK19 2184/4885

“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.