SCHEMBL2882197

SCHEMBL2882197

O=C1NC(=O)/C(=C\c2ccc3c(c2)OCO3)S1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.83
PIK3CA P42336 2/20 0.68
PIK3CG P48736 2/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 3/20 0.67
CSNK2A2 P19784 3/20 0.65
CSNK2B P67870 3/20 0.65
CSNK2A1 P68400 3/20 0.65
DYRK1A Q13627 3/20 0.65
CSNK2A3 Q8NEV1 3/20 0.65
DYRK1B Q9Y463 3/20 0.65
CDC25B P30305 2/20 0.65
KMT2A Q03164 3/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
MEN1 O00255 2/20 0.62
IGF1R P08069 2/20 0.62
MAPK9 P45984 1/20 0.60

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
SCHEMBL29369746 1.00 GSK3B (0.83) GSK3BPIK3CAPIK3CGRAB9ANPC1
SCHEMBL1249098 1.00 GSK3B (0.83) GSK3BPIK3CAPIK3CGRAB9ANPC1
SCHEMBL1249096 1.00 GSK3B (0.83) GSK3BPIK3CAPIK3CGRAB9ANPC1
SCHEMBL6796814 0.91 GSK3B (1.00) GSK3BPIK3CAPIK3CGRAB9ANPC1
SCHEMBL2882080 0.91 GSK3B (1.00) GSK3BPIK3CAPIK3CGRAB9ANPC1
SCHEMBL2882077 0.91 GSK3B (1.00) GSK3BPIK3CAPIK3CGRAB9ANPC1
SCHEMBL497019 0.87 DYRK1A (0.67) GSK3BPIK3CAPIK3CGRAB9ANPC1
SCHEMBL497020 0.87 DYRK1A (0.67) GSK3BPIK3CAPIK3CGRAB9ANPC1
SCHEMBL1520306 0.87 CSNK2A2 (0.67) GSK3BRAB9ANPC1CSNK2A2CSNK2B
SCHEMBL497530 0.87 CSNK2A2 (0.67) GSK3BRAB9ANPC1CSNK2A2CSNK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US claimed
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US claimed
EP-1807075-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA Applied Research Systems ARS Holding N.V. (AN) 2007-07-18 EP claimed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US claimed
WO-2006040318-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-04-20 WO claimed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US claimed
US-20170056336-A1 CO-TARGETING ANDROGEN RECEPTOR SPLICE VARIANTS AND MTOR SIGNALING PATHWAY FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 US disclosed
US-7846925-B2 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2010-12-07 US disclosed
US-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES LABORATOIRES SERONO S.A. (CH) 2009-12-10 US disclosed
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia MERCK SERONO SA (CH) 2009-02-12 US disclosed
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis LABORATORIES SERONO SA (CH) 2008-12-11 US disclosed
EP-1931424-A2 P13K INHIBITORS FOR THE TREATMENT OF ENDOMETRIOSIS LABORATOIRES SERONO S.A. (CH) 2008-06-18 EP disclosed
EP-1807075-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA Applied Research Systems ARS Holding N.V. (AN) 2007-07-18 EP disclosed
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives MERCK SERONO SA (CH) 2006-06-08 US disclosed
WO-2006040318-A2 PI3 KINASE GAMMA INHIBITORS FOR THE TREATMENT OF ANAEMIA APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-04-20 WO disclosed
US-20050222225-A1 Use of compounds for increasing spermatozoa motility APPLIED RESEARCH SYSTEMS ARS HOLDING NV (NL) 2005-10-06 US disclosed
EP-1549644-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2005-07-06 EP disclosed
EP-1531813-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY Applied Research Systems ARS Holding N.V. (AN) 2005-05-25 EP disclosed
WO-2004007491-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-01-22 WO disclosed
WO-2004006916-A1 USE OF COMPOUNDS FOR INCREASING SPERMATOZOA MOTILITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2004-01-22 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-20090306069-A1 AZOLIDINONE-VINYL FUSED-BENZENE DERIVATIVES ZAP70, BRCA1, ZYX GSK3B 2843/4885PIK3CA 619/4885PIK3CG 1265/4885
US-20090042773-A1 P13 kinase gamma inhibitors for the treatment of anaemia PDPK1, PRKD3, PRKD1 GSK3B 100/4885PIK3CA 17/4885PIK3CG 52/4885
US-20050222225-A1 Use of compounds for increasing spermatozoa motility CATSPER1, PI4KB, MAN2B2 GSK3B 1040/4885PIK3CA 130/4885PIK3CG 110/4885
US-20080306057-A1 P13K Inhibitors for the Treatment of Endometriosis PDPK1, PIK3R4, MAP3K3 GSK3B 126/4885PIK3CA 29/4885PIK3CG 52/4885
US-20060122176-A1 Azolidinone-vinyl fused-benzene derivatives BRCA1, ZAP70, F13B GSK3B 3188/4885PIK3CA 559/4885PIK3CG 1318/4885
US-20170056336-A1 CO-TARGETING ANDROGEN RECEPTOR SPLICE VARIANTS AND MTOR SIGNALING PATHWAY FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, MTOR, RICTOR GSK3B 86/4885PIK3CA 104/4885PIK3CG 300/4885

“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.