SCHEMBL6179565

SCHEMBL6179565

CC(=O)Cc1c(C)ccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 2/20 0.49
GAA P10253 2/20 0.49
GLA P06280 1/20 0.49
TSHR P16473 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2A6 P11509 2/20 0.47
KMT2A Q03164 1/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.42
CASP1 P29466 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
NCEH1 Q6PIU2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL29669502 0.86 KDM4E (0.67) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL350989 0.86 KDM4E (0.67) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL29672837 0.84 KDM4E (0.47) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL2986084 0.84 KDM4E (0.47) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL4456627 0.84 KDM4E (0.47) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL6622985 0.82 KDM4E (0.72) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL5236476 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL28195038 0.79 HTR2A (0.50) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL28150825 0.79 WDR5 (0.56) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL5033099 0.79 NCEH1 (0.42) ALDH1A1KDM4EHSD17B10HPGDGAA

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-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 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 (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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS ALDH1A1 1294/4885KDM4E 1557/4885HSD17B10 908/4885

“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.