SCHEMBL1947435

SCHEMBL1947435

O=S1(=O)N[C]=Nc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA9 Q16790 5/20 0.34
CA4 P22748 3/20 0.34
CA7 P43166 3/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
BCHE P06276 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
MEN1 O00255 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
GPR3 P46089 1/20 0.32
KEAP1 Q14145 1/20 0.30

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
SCHEMBL207065 0.74 CA2 (0.39) CA12CA1CA2CA9CA4
SCHEMBL209210 0.74 CA1 (0.39) CA12CA1CA2CA9CA4
SCHEMBL209303 0.74 CA1 (0.36) CA12CA1CA2CA9CA4
SCHEMBL209257 0.74 CHEK1 (0.41) CA12CA1CA2CA9CA4
SCHEMBL208120 0.74 CHEK1 (0.41) CA12CA1CA2CA9CA4
SCHEMBL207446 0.74 CA1 (0.36) CA12CA1CA2CA9CA4
SCHEMBL208488 0.71
SCHEMBL5515619 0.70 GPR3 (0.37) CA12CA1CA2CA9CA4
SCHEMBL5880589 0.67 CA12 (0.41) CA12CA1CA2CA9CA4
SCHEMBL2373956 0.65 KMT2A (0.35) CA12CA1CA2CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
EP-2373634-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2015-11-11 EP disclosed
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
EP-2473491-B1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARM CO LTD (JP) 2013-07-17 EP disclosed
EP-2373634-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 US disclosed
WO-2010065717-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed
EP-0852584-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 1998-07-15 EP disclosed
WO-1997011961-A1 PEPTIDE DERIVATIVES HAVING ENDOTHELIN RECEPTOR ANTAGONISTIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-03 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 (3 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CA12 3156/4885CA1 3212/4885CA2 2239/4885
US-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CA12 3936/4885CA1 3019/4885CA2 2568/4885
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 CA12 3156/4885CA1 3212/4885CA2 2239/4885

“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.