SCHEMBL1982997

SCHEMBL1982997

N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3Br)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 1.00
PRSS1 P07477 19/20 1.00
F2 P00734 17/20 1.00
F9 P00740 2/20 0.79
PRSS2 P07478 3/20 0.54
PRSS3 P35030 3/20 0.54

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
SCHEMBL7367326 0.88 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL6616732 0.88 F10 (0.78) F10PRSS1F2F9PRSS2
SCHEMBL7365282 0.84 F10 (0.81) F10PRSS1F2F9PRSS2
SCHEMBL7438126 0.78 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7449310 0.76 F10 (1.00) F10PRSS1F2F9PRSS2
SCHEMBL7366733 0.75 F10 (0.75) F10PRSS1F2F9PRSS2
SCHEMBL6613306 0.72 F2 (0.56) F10PRSS1F2F9
SCHEMBL7438119 0.69 F10 (0.66) F10PRSS1F2F9PRSS2
SCHEMBL7368198 0.69 F2 (0.59) F10PRSS1F2F9
SCHEMBL8019753 0.68 F10 (0.66) F10PRSS1F2F9PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362062-B2 Pharmaceutical compositions with improved dissolution MCNEIL-PPC, INC. (US) 2013-01-29 US disclosed
EP-2339328-A2 Pharmaceutical co-crystal compositions of celecoxib Transform Pharmaceuticals, Inc. (US) 2011-06-29 EP disclosed
US-20060134198-A1 Pharmaceutical compositions with improved dissolution JOHNSON & JOHNSON CONSUMER INC. 2006-06-22 US disclosed
US-20060052432-A1 Pharmaceutical compositions with improved dissolution TRANSFORM PHARMACEUTICALS, INC. 2006-03-09 US disclosed
US-20050112197-A1 Stabilized oral pharmaceutical composition GAO PING (US) 2005-05-26 US disclosed
EP-1515703-A1 PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION Transform Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
US-20050025791-A1 Pharmaceutical compositions with improved dissolution TRANSFORM PHARMACEUTICALS, INC. 2005-02-03 US disclosed
EP-1494666-A1 ORALLY DELIVERABLE PHARMACEUTICAL COMPOSITION COMPRISING AN ACTIVE COMPOUND HAVING AN AMINOSULFONYL GROUP (COX-2 INHIBITOR), A POLYETHYLENE GLYCOL AND A FREE-RADICAL SCAVENGING ANTIOXIDANT Pharmacia Corporation (US) 2005-01-12 EP disclosed
WO-2004000284-A1 PHARMACEUTICAL COMPOSITIONS WITH IMPROVED DISSOLUTION TRANSFORM PHARMACEUTICALS, INC. (US) 2003-12-31 WO disclosed
US-20030105144-A1 Stabilized oral pharmaceutical composition PHARMACIA CORPORATION 2003-06-05 US disclosed
US-20030100595-A1 Oral dosage form of a sulfonamide prodrug PHARMACIA CORPORATION 2003-05-29 US disclosed
WO-2002102376-A1 ORALLY DELIVERABLE PHARMACEUTICAL COMPOSITION COMPRISING AN ACTIVE COMPOUND HAVING AN AMINOSULFONYL GROUP (cox-2 INHIBITOR), A POLYETHYLENE GLYCOL AND A FREE-RADICAL SCAVENGING ANTIOXIDANT PHARMACIA CORPORATION (US) 2002-12-27 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 (6 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-20050025791-A1 Pharmaceutical compositions with improved dissolution ABCG2, SI, SLC10A2 F10 49/4885PRSS1 770/4885F2 270/4885
US-20030100595-A1 Oral dosage form of a sulfonamide prodrug PTGS2, PTGES2, SI F10 1491/4885PRSS1 20/4885F2 184/4885
US-20060052432-A1 Pharmaceutical compositions with improved dissolution ABCG2, SI, SLC10A2 F10 46/4885PRSS1 640/4885F2 193/4885
US-20030105144-A1 Stabilized oral pharmaceutical composition PTGS2, PTGES2, PTGES F10 1250/4885PRSS1 290/4885F2 441/4885
US-20060134198-A1 Pharmaceutical compositions with improved dissolution ABCG2, SI, SLC10A2 F10 46/4885PRSS1 640/4885F2 193/4885
US-20050112197-A1 Stabilized oral pharmaceutical composition PTGS2, PTGES2, PTGES F10 1250/4885PRSS1 290/4885F2 441/4885

“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.