SCHEMBL4388577

SCHEMBL4388577

[CH2]CCCc1ccccc1Sc1c[nH]c2cc(S(C)(=O)=O)ccc12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.40
PTGS1 P23219 4/20 0.36
TDO2 P48775 1/20 0.35
GFER P55789 1/20 0.34
SPR P35270 1/20 0.34
IDO1 P14902 2/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL4389645 0.88 PTGS2 (0.43) PTGS2PTGS1TDO2GFERSPR
SCHEMBL4388059 0.79 PTGS2 (0.34) PTGS2SPRSLC6A2HTR2A
SCHEMBL736552 0.70 IDO1 (0.47) TDO2IDO1SLC6A2HTR2A
SCHEMBL4392323 0.70 MPO (0.57) IDO1HTR2A
SCHEMBL4387868 0.68 HTR2A (0.55) GFERIDO1MEN1KMT2ASLC6A2
SCHEMBL757235 0.68 IDO1 (0.52) TDO2GFERIDO1SLC6A2HTR2A
SCHEMBL4963437 0.67 GFER (0.57) GFERIDO1MEN1KMT2ASLC6A2
SCHEMBL735716 0.66 HTR2A (0.62) GFERIDO1KMT2ASLC6A2HTR2A
SCHEMBL4383376 0.66 HTR1A (0.52) GFERIDO1ALOX12MEN1KMT2A
SCHEMBL3190980 0.66 HTR2A (0.51) GFERIDO1MEN1KMT2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1170/4885PTGS1 2394/4885TDO2 524/4885

“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.