SCHEMBL6176771

SCHEMBL6176771

C[C@H](c1cccc2ccccc12)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA2A P08913 5/20 0.45
ADRA2B P18089 5/20 0.45
ADRA2C P18825 5/20 0.45
ADRA1A P35348 4/20 0.45
ADRA1D P25100 3/20 0.45
ADRA1B P35368 3/20 0.45
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7339111 1.00 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL7388027 0.84 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL30880235 0.83 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9576663 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL110315 0.83 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1155486 0.83 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL12200321 0.83 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL31087888 0.83 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1154786 0.83 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL30270396 0.83 CYP1A2 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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 1294/4885CYP1A2 2088/4885CYP2C9 1320/4885

“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.