SCHEMBL2876705

SCHEMBL2876705

CCOC(=O)COc1ccc(S(=O)(=O)Cl)c2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 3/20 0.46
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 1/20 0.43
CASP1 P29466 1/20 0.41
ESR1 P03372 1/20 0.40
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
PTPN1 P18031 1/20 0.39
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38

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
SCHEMBL6490425 0.80 NPSR1 (0.48) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL2876703 0.79 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL24133244 0.77 ALDH1A1 (0.55) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL15372541 0.77 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL9979562 0.76 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL15819886 0.76 USP2 (0.53) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL24133236 0.75 ALDH1A1 (0.56) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL1417326 0.75 KDM4E (0.44) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL28615512 0.74 POLB (0.47) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL2876699 0.74 RXRA (0.54) ALDH1A1HPGDKDM4EHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435946-B1 LINKED BIARYL COMPOUNDS AMGEN INC (US) 2013-11-06 EP disclosed
EP-1435946-B1 LINKED BIARYL COMPOUNDS AMGEN INC (US) 2013-11-06 EP disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
EP-1435946-A4 LINKED BIARYL COMPOUNDS TULARIK INC (US) 2006-02-01 EP disclosed
US-6869975-B2 Linked biaryl compounds TULARIK INC. (US) 2005-03-22 US disclosed
EP-1435946-A2 LINKED BIARYL COMPOUNDS Tularik Inc. (US) 2004-07-14 EP disclosed
US-20030149108-A1 Linked biaryl compounds TULARIK INC. 2003-08-07 US disclosed
WO-2003024395-A2 LINKED BIARYL COMPOUNDS TULARIK INC. (US) 2003-03-27 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-20030149108-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB ALDH1A1 1605/4885HPGD 1302/4885KDM4E 2041/4885
US-20080161351-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB ALDH1A1 1605/4885HPGD 1302/4885KDM4E 2041/4885

“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.