SCHEMBL21113586

SCHEMBL21113586

O=[SH](=O)Cc1ccc(-n2cc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.63
PTGS1 P23219 2/20 0.47
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
CNR1 P21554 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.40
ALDH1A3 P47895 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL21113605 0.89 PTGS2 (0.50) PTGS2PTGS1GABRA2GABRB2SMN1; SMN2
SCHEMBL21113572 0.83 PTGS2 (0.61) PTGS2PTGS1GABRA2GABRB2
SCHEMBL5593885 0.77 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL213892 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594726 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594653 0.77 PTGS2 (0.78) PTGS2PTGS1
SCHEMBL27605216 0.76 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6175669 0.75 PTGS1 (0.54) PTGS2PTGS1GABRA2GABRB2SMN1; SMN2
SCHEMBL28111728 0.75 PTGS1 (0.54) PTGS2PTGS1GABRA2GABRB2SMN1; SMN2
SCHEMBL6906119 0.75 PTGS2 (0.67) PTGS2PTGS1GABRA2GABRB2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1767835-A Compositions comprising cyclooxygenase-2 selective inhibitors and glucosamine for the treatment and prevention of pain and inflammation PHARMACIA CORP (US) 2006-05-03 CN claimed
CN-1697654-A Use of COx-2 inhibitors in combination with antiviral agents for the treatment of papilloma virus infections UPJOHN CO (US) 2005-11-16 CN claimed
CN-1575182-A Compositions for the treatment and prevention of pain and inflammation with a cyclooxygenase-2 selective inhibitor and chondroitin sulfate PHARMACIA CORP (US) 2005-02-02 CN claimed
CN-1561246-A Compositions of cyclooxygenase-2 selective inhibitors and radiation for inhibition or prevention of cardiovascular disease PHARMACIA CORP (US) 2005-01-05 CN claimed
CN-1527709-A Therapeutic combination for cardiovascular and inflammatory indications 2004-09-08 CN claimed
US-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2019-07-11 US disclosed
CN-100372539-C Pharmaceutical composition comprising a combination of a bisphosphonate, a COX-2 inhibitor and paclitaxel for the treatment of malignancies NOVARTIS AG (CH) 2008-03-05 CN disclosed
CN-1771034-A Combinations of peroxisome proliferators-activated receptor-alpha agonists and cyclooxygenase-2 selective inhibitors and therapeutic uses therefor PHARMACIA CORP (US) 2006-05-10 CN disclosed
CN-1767835-A Compositions comprising cyclooxygenase-2 selective inhibitors and glucosamine for the treatment and prevention of pain and inflammation PHARMACIA CORP (US) 2006-05-03 CN disclosed
CN-1697654-A Use of COx-2 inhibitors in combination with antiviral agents for the treatment of papilloma virus infections UPJOHN CO (US) 2005-11-16 CN disclosed
CN-1642544-A Compositions and methods of treatment involving peroxisome proliferator-activated receptor-gamma agonists and cyclooxygenase-2 selective inhibitors PHARMACIA CORP (US) 2005-07-20 CN disclosed
CN-1638760-A Treatment of pain, inflammation, and inflammation-related disorders with a combination of a cyclooxygenase-2 selective inhibitor and aspirin PHARMACIA CORP (US) 2005-07-13 CN disclosed
CN-1638759-A Pharmaceutical composition comprising a bisphosphonate and a COX-2 inhibitor for the treatment of bone diseases NOVARTIS AG (CH) 2005-07-13 CN disclosed
CN-1575182-A Compositions for the treatment and prevention of pain and inflammation with a cyclooxygenase-2 selective inhibitor and chondroitin sulfate PHARMACIA CORP (US) 2005-02-02 CN disclosed
CN-1561246-A Compositions of cyclooxygenase-2 selective inhibitors and radiation for inhibition or prevention of cardiovascular disease PHARMACIA CORP (US) 2005-01-05 CN 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-20190209525-A1 DASH INHIBITORS, AND USES RELATED THERETO CD2BP2, PCNA, CD2 PTGS2 2358/4885PTGS1 1824/4885GABRA2 4471/4885

“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.