SCHEMBL4236176

SCHEMBL4236176

CCCCCC#CSc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
NAAA Q02083 1/20 0.38
EPHX2 P34913 1/20 0.38
KCNH2 Q12809 1/20 0.37
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
TSHR P16473 1/20 0.33
CETP P11597 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL28993736 0.76 KCNH2 (0.41) PTGS2KCNH2HPGDMEN1ALDH1A1
SCHEMBL6535135 0.74 PTGS2 (0.60) PTGS2NAAAEPHX2HPGDTSHR
SCHEMBL7984395 0.71 PTGS2 (0.63) PTGS2NAAAEPHX2HPGDMAPT
SCHEMBL2070118 0.70 EPHX2 (0.62) PTGS2NAAAEPHX2HPGDCYSLTR2
SCHEMBL29561042 0.70 PTGS2 (0.36) PTGS2KCNH2ALDH1A1MAPTCYSLTR2
SCHEMBL4280713 0.70 KCNH2 (0.54) NAAAKCNH2HPGDMEN1ALDH1A1
SCHEMBL31544587 0.70 KCNH2 (0.54) NAAAKCNH2HPGDMEN1ALDH1A1
SCHEMBL5313693 0.69 EPHX2 (0.64) PTGS2NAAAEPHX2MEN1ALDH1A1
SCHEMBL9447706 0.69 EPHX2 (0.64) PTGS2NAAAEPHX2MEN1ALDH1A1
SCHEMBL22444760 0.69 EPHX2 (0.64) PTGS2NAAAEPHX2MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090252678-A1 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2009-10-08 US disclosed
EP-1638612-A2 COX-2-TARGETED IMAGING AGENTS Vanderbilt University (US) 2006-03-29 EP disclosed
US-20050002859-A1 COX-2-targeted imaging agents VANDERBILT UNIVERSITY (US) 2005-01-06 US disclosed
WO-2005002293-A2 COX-2-TARGETED IMAGING AGENTS VANDERBILT UNIVERSITY (US) 2005-01-06 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-20050002859-A1 COX-2-targeted imaging agents PTGS2, PTGES2, PTGER2 PTGS2 1/4885NAAA 616/4885EPHX2 215/4885
US-20090252678-A1 COX-2-TARGETED IMAGING AGENTS PTGS2, PTGES2, PTGER2 PTGS2 1/4885NAAA 616/4885EPHX2 215/4885

“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.