SCHEMBL6989709

SCHEMBL6989709

N#Cc1cccc(N2CSCC2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.50
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
NSD2 O96028 1/20 0.39
FFAR2 O15552 2/20 0.39
ALOX5 P09917 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
FADS1 O60427 2/20 0.36
MLYCD O95822 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
SCHEMBL6985886 0.80 NOTUM (0.60) NOTUMDRD2DRD3NSD2FFAR2
SCHEMBL6988378 0.77 NOTUM (0.57) NOTUMDRD2DRD3ALOX5
SCHEMBL14632427 0.77 NOTUM (0.57) NOTUMDRD2DRD3ALOX5
SCHEMBL14632375 0.76 NOTUM (0.56) NOTUMDRD2DRD3ALOX5
SCHEMBL6839819 0.76 NOTUM (0.56) NOTUMDRD2DRD3ALOX5
SCHEMBL6992302 0.76 NOTUM (0.50) NOTUMDRD2DRD3NSD2FFAR2
SCHEMBL14525475 0.76 DPP4 (0.47) NOTUMDPP4DPP7
SCHEMBL5604691 0.76 DPP4 (0.47) NOTUMDPP4DPP7
SCHEMBL6839730 0.75 DRD2 (0.52) NOTUMDRD2DRD3NSD2ALOX5
SCHEMBL6990293 0.73 NOTUM (0.47) NOTUMDRD2DRD3NSD2ALOX5

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-20030176465-A1 Cyclic amino acid derivatives MERCK PATENT GMBH (DE) 2003-09-18 US disclosed
EP-1301506-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-16 EP disclosed
WO-2002006269-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-24 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 (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-20030176465-A1 Cyclic amino acid derivatives F5, F11, F2 NOTUM 4067/4885DRD2 3651/4885DRD3 3576/4885

“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.