SCHEMBL4389645

SCHEMBL4389645

CNCCCc1ccccc1Sc1c[nH]c2cc(S(C)(=O)=O)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
MPO P05164 1/20 0.40
HTR2A P28223 3/20 0.39
SLC6A2 P23975 2/20 0.39
SPR P35270 1/20 0.37
ALOX12 P18054 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR1A P08908 1/20 0.36
HTT P42858 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
PTGS1 P23219 2/20 0.35
NQO2 P16083 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
TDO2 P48775 1/20 0.34
GFER P55789 1/20 0.34
PRMT1 Q99873 1/20 0.34

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
SCHEMBL4388577 0.88 PTGS2 (0.40) PTGS2HTR2ASLC6A2SPRALOX12
SCHEMBL4392323 0.82 MPO (0.57) MPOHTR2AKDM4EALDH1A1HTR1A
SCHEMBL4387868 0.81 HTR2A (0.55) MPOHTR2ASLC6A2KDM4EALDH1A1
SCHEMBL4383376 0.79 HTR1A (0.52) MPOHTR2ASLC6A2ALOX12KDM4E
SCHEMBL4388059 0.79 PTGS2 (0.34) PTGS2MPOHTR2ASLC6A2SPR
SCHEMBL4396107 0.78 MPO (0.48) MPOHTR2AKDM4EALDH1A1HTR1A
SCHEMBL4391470 0.77 MPO (0.54) MPOHTR2AKDM4EALDH1A1HTR1A
SCHEMBL4388061 0.75 HTR2A (0.64) MPOHTR2ASLC6A2KDM4EALDH1A1
SCHEMBL4389774 0.75 MPO (0.46) PTGS2MPOHTR2AKDM4EALDH1A1
SCHEMBL4389000 0.72 IDO1 (0.46) MPOHTR2ASLC6A2KDM4EALDH1A1

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 9 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 claimed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US claimed
US-20060287382-A1 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2006-12-21 US claimed
EP-1893575-B1 2-(1H-INDOLYLSULFANYL)-ARYL AMINE DERIVATIVES H LUNDBECK AS (DK) 2017-01-11 EP disclosed
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
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US disclosed
US-7629473-B2 2-(1H-indolylsulfanyl)-aryl amine derivatives H. LUNDBECK A/S (DK) 2009-12-08 US 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 1170/4885MPO 495/4885HTR2A 121/4885

“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.