SCHEMBL212497

SCHEMBL212497

CSc1ccc(B(O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.38
LPL P06858 3/20 0.38
LIPG Q9Y5X9 3/20 0.38
ENPP2 Q13822 6/20 0.34
CA1 P00915 4/20 0.34
TSHR P16473 1/20 0.33
CXCR1 P25024 1/20 0.32
CXCR2 P25025 1/20 0.32
MGLL Q99685 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL29802448 1.00 CA2 (0.38) CA2LPLLIPGENPP2CA1
Water SCHEMBL1961682 0.98 CA2 (0.37) CA2LPLLIPGENPP2CA1
SCHEMBL22211511 0.86
SCHEMBL31276726 0.79 LPL (0.41) CA2LPLLIPGCA1CXCR1
SCHEMBL850656 0.79 LPL (0.41) CA2LPLLIPGCA1CXCR1
SCHEMBL29956576 0.79 NPC1 (0.38) CA2LPLLIPGENPP2CA1
SCHEMBL29161282 0.75 MGLL (0.39) CA2LPLLIPGENPP2CA1
SCHEMBL1269058 0.74 CXCR2 (0.36) CA2LPLLIPGCA1TSHR
SCHEMBL29955625 0.74 CA2 (0.48) CA2LPLLIPG
SCHEMBL19144049 0.73

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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BOARD INSTITUTE, INC. (US) 2022-11-03 US disclosed
EP-4027993-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF The Broad Institute Inc. (US) 2022-07-20 EP disclosed
EP-3241822-B1 URAT1 INHIBITOR NIPPON CHEMIPHAR CO (JP) 2021-03-24 EP disclosed
WO-2021050700-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2021-03-18 WO disclosed
EP-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 EP disclosed
CN-107108478-B URAT1 inhibitors 日本化学药品株式会社 2020-04-24 CN disclosed
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-10173990-B2 URAT1 inhibitor NIPPON CHEMIPHAR CO., LTD. (JP) 2019-01-08 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-20070213330-A1 Anticancer agents; antiproliferative agents METHYLGENE INC. (CA) 2007-09-13 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
US-7253204-B2 Antiproliferative agents METHYLGENE INC. (CA) 2007-08-07 US disclosed
EP-1735319-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2006-12-27 EP disclosed
WO-2005092899-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2005-10-06 WO disclosed
US-6765096-B1 ANTIALLERGIC AGENT, IMMUNOSUPPRESSANT SHIONOGI & CO., LTD. (JP) 2004-07-20 US disclosed
EP-1219606-A1 TRICYCLIC COMPOUNDS BEARING ACYLOXYMETHOXYCARBONYL PENDANTS SHIONOGI & CO., LTD. (JP) 2002-07-03 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 (5 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-20070213330-A1 Anticancer agents; antiproliferative agents HDAC1, HDAC11, HDAC5 CA2 1511/4885LPL 2043/4885LIPG 2424/4885
US-10173990-B2 URAT1 inhibitor SLC10A1, XDH, URB2 CA2 511/4885LPL 3016/4885LIPG 4235/4885
US-20220348590-A1 CYCLOOXYGENASE-2 INHIBITORS AND USES THEREOF PTGES2, PTGS2, PTGES CA2 654/4885LPL 407/4885LIPG 175/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 CA2 4310/4885LPL 4619/4885LIPG 4254/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 CA2 4310/4885LPL 4619/4885LIPG 4254/4885

“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.