SCHEMBL6230003

SCHEMBL6230003

Cc1cc(C)c2c(c1)Cc1ccccc1S2(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
DRD2 P14416 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
SCHEMBL19958406 0.81 MAOA (0.43) MAOAPOLBMAPTMEN1KMT2A
SCHEMBL4732207 0.78 MAOA (0.54) MAOAPOLBALDH1A1MAPTHTT
SCHEMBL18631368 0.75 MAOA (0.54) MAOAPOLBALDH1A1MAPTHTT
SCHEMBL29844652 0.74 MAOA (0.54) MAOAMEN1KMT2AKDM4ECA12
SCHEMBL29958223 0.74 MAOA (0.54) MAOAMEN1KMT2AKDM4ECA12
SCHEMBL290638 0.74 MAOA (0.54) MAOAMEN1KMT2AKDM4ECA12
Water SCHEMBL7420168 0.72 MAOA (0.53) MAOAMEN1KMT2AKDM4ECA12
SCHEMBL6228411 0.71 MAOA (0.41) MAOAMAPTKDM4E
SCHEMBL19958407 0.68 MAOA (0.43) MAOAPOLBMAPTMEN1KMT2A
SCHEMBL4735128 0.68 MAOA (0.40) MAOAPOLBALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050261298-A1 Methods of treating conditions associated with an Edg-7 receptor MANIV ENERGY CAPITAL 2005-11-24 US disclosed
EP-1513522-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR SRI INTERNATIONAL (US) 2005-03-16 EP disclosed
US-20040167165-A1 Methods of treating conditions associated with an Edg-7 receptor MANIV ENERGY CAPITAL 2004-08-26 US disclosed
WO-2003062392-A2 METHODS OF TREATING CONDITIONS ASSOCIATED WITH AN EDG RECEPTOR CERETEK LLC (US) 2003-07-31 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 (2 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-20040167165-A1 Methods of treating conditions associated with an Edg-7 receptor EDNRA, EDNRB, ESRRG MAOA 1592/4885POLB 4484/4885ALDH1A1 2718/4885
US-20050261298-A1 Methods of treating conditions associated with an Edg-7 receptor EDNRA, EDNRB, ESRRG MAOA 1592/4885POLB 4484/4885ALDH1A1 2718/4885

“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.