SCHEMBL1471694

SCHEMBL1471694

CCCCCC(O)c1ccc(CN(CC#CCCCC(=O)O)S(C)(=O)=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.41
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
PTPN7 P35236 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LTB4R Q15722 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGER3 P43115 1/20 0.39

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
SCHEMBL4628656 0.95 PTGER2 (0.42) PTGER2PTPN7LTB4R
SCHEMBL1471097 0.84 PTGER2 (0.49) PTGER2LTB4RPTGER4PTGER3
SCHEMBL5725268 0.82 PTGER2 (0.46) PTGER2LTB4R
SCHEMBL2162320 0.77 LTB4R (0.43) PTGER2RECQLTDP1KDM4EMEN1
SCHEMBL1471697 0.76 FFAR1 (0.43) PTGER2RECQLTDP1KDM4EMEN1
SCHEMBL5725576 0.76 CNR2 (0.51) PTGER2LTB4RPTGER4PTGER3
SCHEMBL5725463 0.75 CA12 (0.44)
SCHEMBL1471278 0.74 CNR2 (0.53) PTGER2TDP1ALDH1A1KMT2A
SCHEMBL1471108 0.72 ALDH1A1 (0.47) PTGER2TDP1ALDH1A1KMT2APTGER4
SCHEMBL4628658 0.72 LTB4R (0.44) PTGER2PTPN7LTB4RPTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917238-A2 SULFONAMIDES Allergan, Inc. (US) 2008-05-07 EP claimed
US-20070142471-A1 SULFONAMIDES ALLERGAN, INC. 2007-06-21 US claimed
WO-2007024860-A2 SULFONAMIDES ALLERGAN, INC. (US) 2007-03-01 WO claimed
US-7915316-B2 Sulfonamides ALLERGAN, INC (US) 2011-03-29 US disclosed
US-7915316-B2 Sulfonamides ALLERGAN, INC (US) 2011-03-29 US disclosed
US-7915316-B2 Sulfonamides ALLERGAN, INC (US) 2011-03-29 US disclosed
EP-1917238-A2 SULFONAMIDES Allergan, Inc. (US) 2008-05-07 EP disclosed
US-20070142471-A1 SULFONAMIDES ALLERGAN, INC. 2007-06-21 US disclosed
US-20070142471-A1 SULFONAMIDES ALLERGAN, INC. 2007-06-21 US disclosed
US-20070142471-A1 SULFONAMIDES ALLERGAN, INC. 2007-06-21 US disclosed
WO-2007024860-A2 SULFONAMIDES ALLERGAN, INC. (US) 2007-03-01 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-20070142471-A1 SULFONAMIDES CRYZ, QDPR, GLRX3 PTGER2 1557/4885RECQL 687/4885TDP1 2014/4885

“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.