SCHEMBL21113587

SCHEMBL21113587

COc1ccc(C2=C(c3ccc(C[SH](=O)=O)cc3)CCC2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.62
PTGS1 P23219 7/20 0.60
SLC6A3 Q01959 5/20 0.40
SLC6A2 P23975 4/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 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
SCHEMBL27605227 0.79 PTGS2 (0.55) PTGS2PTGS1SLC6A3ALDH1A1
SCHEMBL27605403 0.77 PTGS2 (0.50) PTGS2PTGS1SLC6A3SLC6A2MEN1
SCHEMBL213834 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8654678 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6722622 0.72 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL6718774 0.71 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL27587389 0.71 PTGS2 (0.55) PTGS2SLC6A3SLC6A2MEN1ALDH1A1
SCHEMBL28137385 0.71 PTGS2 (0.40) PTGS2PTGS1SLC6A3
SCHEMBL7041359 0.70 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL12603809 0.70 KMT2A (0.47) PTGS2PTGS1MEN1ALDH1A1KMT2A

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 16 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-1703226-A Pharmaceutical composition comprising a combination of a bisphosphonate, a COX-2 inhibitor and paclitaxel for the treatment of malignancies NOVARTIS AG (CH) 2005-11-30 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 1824/4885SLC6A3 4029/4885

“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.