SCHEMBL4388059

SCHEMBL4388059

CN(CCCc1ccccc1Sc1c[nH]c2cc(S(C)(=O)=O)ccc12)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SPR P35270 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
METAP2 P50579 1/20 0.33
SLC6A4 P31645 3/20 0.32
MPO P05164 1/20 0.32
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL4393850 0.87 ACHE (0.40) NPC1SMN1; SMN2SLC6A2SLC6A4MPO
SCHEMBL4391454 0.86 SMN1; SMN2 (0.45) NPC1SMN1; SMN2HTR2ASLC6A4CDK4
SCHEMBL4397673 0.84 SMN1; SMN2 (0.44) NPC1SMN1; SMN2HTR2ASLC6A4CDK4
SCHEMBL4394022 0.83 NPC1 (0.38) PTGS2NPC1SMN1; SMN2SLC6A4CDK4
SCHEMBL4389267 0.82 CDK4 (0.39) PTGS2NPC1SMN1; SMN2SLC6A4CDK4
SCHEMBL4381230 0.81 CDK4 (0.43) SLC6A2HTR2ASLC6A4MPOCDK4
SCHEMBL4387834 0.80 CDK4 (0.47) CDK4CCND1
SCHEMBL4388577 0.79 PTGS2 (0.40) PTGS2SPRSLC6A2HTR2A
SCHEMBL4389645 0.79 PTGS2 (0.43) PTGS2SPRSLC6A2HTR2AMPO
SCHEMBL4388601 0.77 SLC6A4 (0.47) NPC1SMN1; SMN2SLC6A2HTR2ASLC6A4

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 PTGS2 1170/4885NPC1 442/4885SMN1; SMN2 907/4885

“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.