SCHEMBL6326340

SCHEMBL6326340

CSc1ccc(C2=C(c3ccccc3)C(=O)C2(Cl)Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.59
GSK3B P49841 4/20 0.47
PTGS1 P23219 8/20 0.42
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7569131 0.86 PTGS2 (0.43) PTGS2GSK3BPTGS1ALDH1A1
SCHEMBL7573858 0.83 PTGS2 (0.61) PTGS2GSK3BPTGS1KDM4EALDH1A1
SCHEMBL7568009 0.83 PTGS2 (0.61) PTGS2GSK3BPTGS1KDM4EALDH1A1
SCHEMBL7565527 0.81 PTGS2 (0.51) PTGS2GSK3BPTGS1ALDH1A1GAA
SCHEMBL7565471 0.79 PTGS2 (0.56) PTGS2GSK3BPTGS1ALDH1A1MAPT
SCHEMBL6274595 0.77 PTGS2 (0.71) PTGS2PTGS1ALDH1A1
SCHEMBL6473400 0.77 PTGS2 (0.71) PTGS2PTGS1ALDH1A1
SCHEMBL7573008 0.77 PTGS2 (0.57) PTGS2GSK3BPTGS1KDM4EALDH1A1
SCHEMBL7566102 0.77 PTGS2 (0.57) PTGS2GSK3BPTGS1KDM4EALDH1A1
SCHEMBL7575463 0.75 PTGS2 (0.51) PTGS2GSK3BPTGS1MAPTRAB9A

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
US-9421266-B2 Safety of pseudoephedrine drug products PISGAH LABORATORIES, INC. (US) 2016-08-23 US claimed
US-20140178480-A1 SAFETY OF PSUEDOEPHEDRINE DRUG PRODUCTS PISGAH LABORATORIES, INC. 2014-06-26 US claimed
US-6521685-B1 Clarifying agent formulations for thermoplastics exhibiting very high nucleation efficacy MILLIKEN & COMPANY 2003-02-18 US claimed
EP-0889878-B1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC (CA) 2002-09-04 EP claimed
WO-2000029022-A1 COX-2 INHIBITORS IN COMBINATION WITH CENTRALLY ACTING ANALGESICS ALGOS PHARMACEUTICAL CORPORATION (US) 2000-05-25 WO claimed
US-5817700-A ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-10-06 US claimed
US-9421266-B2 Safety of pseudoephedrine drug products PISGAH LABORATORIES, INC. (US) 2016-08-23 US disclosed
US-20140178480-A1 SAFETY OF PSUEDOEPHEDRINE DRUG PRODUCTS PISGAH LABORATORIES, INC. 2014-06-26 US disclosed
US-6972306-B2 Compositions and articles comprising asymmetric dipolar multi-substituted alditol derivatives MILLIKEN & COMPANY (US) 2005-12-06 US disclosed
US-20050100594-A1 Pharmaceutical formulation containing muscle relaxant and COX-II inhibitor GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-12 US disclosed
US-20050096371-A1 Topical pharmaceutical compositions GLENMARK PHARMACEUTICALS LIMITED (IN) 2005-05-05 US disclosed
US-20030114558-A1 Compositions and articles comprising asymmetric dipolar multi-substituted alditol derivatives DOTSON DARIN L (US) 2003-06-19 US disclosed
US-6521685-B1 Clarifying agent formulations for thermoplastics exhibiting very high nucleation efficacy MILLIKEN & COMPANY 2003-02-18 US disclosed
US-6500964-B2 BY REACTING SUBSTITUTED BENZALDEHYDE(S) WITH ALDITOL(S) SUCH AS SORBITOL MILLIKEN & COMPANY 2002-12-31 US disclosed
EP-0889878-B1 BISARYLCYCLOBUTENE DERIVATES AS CYCLOOXYGENASE INHIBITORS MERCK FROSST CANADA INC (CA) 2002-09-04 EP disclosed
US-5817700-A ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1998-10-06 US 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-20140178480-A1 SAFETY OF PSUEDOEPHEDRINE DRUG PRODUCTS SORD, ABCB11, ABCB1 PTGS2 2503/4885GSK3B 3731/4885PTGS1 1385/4885

“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.