SCHEMBL4387834

SCHEMBL4387834

CN(CCc1ccccc1Sc1c[nH]c2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 17/20 0.47
CCND1 P24385 17/20 0.47
CDK2 P24941 3/20 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
SCHEMBL4391454 0.94 SMN1; SMN2 (0.45) CDK4CCND1
SCHEMBL4397673 0.93 SMN1; SMN2 (0.44) CDK4CCND1
SCHEMBL4391535 0.89 CDK4 (0.51) CDK4CCND1CDK2
SCHEMBL4386318 0.89 CDK4 (0.48) CDK4CCND1CDK2
SCHEMBL4397592 0.88 IDO1 (0.51) CDK4CCND1
SCHEMBL4389016 0.88 IDO1 (0.50) CDK4CCND1
SCHEMBL4381230 0.88 CDK4 (0.43) CDK4CCND1
SCHEMBL4388022 0.87 CDK4 (0.49) CDK4CCND1
SCHEMBL4393858 0.85 CDK4 (0.43) CDK4CCND1
SCHEMBL4388625 0.85 HTR2A (0.45) CDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
EP-1893575-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2006134499-A2 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-12-21 WO disclosed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 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-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives CYP11B2, CYP1A2, CYP4B1 CDK4 550/4885CCND1 686/4885CDK2 202/4885

“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.