SCHEMBL6186445

SCHEMBL6186445

C=CCNC([NH])CCCC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
TSHR P16473 4/20 0.36
FAAH O00519 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.30
DNM1 Q05193 1/20 0.30

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
SCHEMBL10834575 0.78 TSHR (0.39) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
SCHEMBL2585984 0.77 ADH1B (0.39) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
SCHEMBL10833898 0.75 ALDH1A1 (0.36) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
SCHEMBL28223450 0.75 ALDH1A1 (0.36) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
SCHEMBL6425683 0.75 ALDH1A1 (0.39) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
SCHEMBL18380192 0.75 ALDH1A1 (0.36) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
SCHEMBL5611721 0.72 ALDH1A1 (0.41) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
SCHEMBL11808031 0.72 ALDH1A1 (0.38) ALDH1A1TSHRFAAHSMN1; SMN2MAPT
SCHEMBL17291892 0.71 TSHR (0.43) ALDH1A1TSHRFAAHMAPTDNM1
SCHEMBL8645342 0.71 ADH1B (0.47) ALDH1A1TSHRFAAHSMN1; SMN2MAPT

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 10 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 claimed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US claimed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP claimed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US claimed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 WO claimed
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 1294/4885TSHR 3187/4885FAAH 241/4885

“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.