SCHEMBL6765848

SCHEMBL6765848

CCCCCSc1ccccc1C=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.51
EPHX2 P34913 1/20 0.45
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
SOAT1 P35610 9/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
TLR8 Q9NR97 1/20 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
SCHEMBL9428037 0.98 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL9560125 0.98 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL11443812 0.98 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL11434977 0.98 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL7721146 0.98 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL9428564 0.98 PTGS2 (0.52) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL8595709 0.95 PTGS2 (0.51) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL7760109 0.87 PTGS2 (0.47) PTGS2EPHX2SOAT1MEN1LMNA
SCHEMBL19630504 0.83 PTGS2 (0.50) PTGS2EPHX2CYSLTR2CYSLTR1SOAT1
SCHEMBL7384646 0.83 LMNA (0.40) PTGS2EPHX2MEN1LMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 US claimed
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-09-30 US disclosed
WO-2004060859-A2 NOVEL AMIDES THAT ACTIVATE SOLUBLE GUANYLATE CYCLASE ABBOTT LABORATORIES (US) 2004-07-22 WO disclosed
US-20040121994-A1 Novel amides that activate soluble guanylate cyclase ABBOTT LABORATORIES 2004-06-24 US disclosed
CN-1062263-C Semicarbazones having CNS activity and pharmaceutical preparations containing same UNIV SASKATCHEWAN (CA) 2001-02-21 CN disclosed
CN-1190388-A Semicarbazones having central nervous system activity and pharmaceutical preparations containing the same UNIV SASKATCHEWAN (CA) 1998-08-12 CN disclosed
EP-0396827-A1 2-Phenylthiobenzylamine dervivatives and acid addition salts thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1990-11-14 EP disclosed
EP-0396827-A1 2-Phenylthiobenzylamine dervivatives and acid addition salts thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1990-11-14 EP 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-20040121994-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 PTGS2 339/4885EPHX2 1442/4885CYSLTR2 1162/4885
US-20040192680-A1 Novel amides that activate soluble guanylate cyclase GUCY1A1, GUCY1B1, GUCY1A2 PTGS2 339/4885EPHX2 1442/4885CYSLTR2 1162/4885

“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.