SCHEMBL920600

SCHEMBL920600

COc1cc(CO)cc(OC)c1B(O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
MAPT P10636 1/20 0.39
TNKS2 Q9H2K2 1/20 0.38
ENPP2 Q13822 2/20 0.38
CA2 P00918 1/20 0.38
PTGS2 P35354 1/20 0.38
ERN1 O75460 1/20 0.37
ORAI1 Q96D31 1/20 0.36
ORAI2 Q96SN7 1/20 0.36
ORAI3 Q9BRQ5 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MMP1 P03956 1/20 0.36

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
SCHEMBL13220750 0.89 HSD17B10 (0.38) HSD17B10TSHRALOX15PDE4APDE4B
SCHEMBL13346840 0.89 APP (0.41) HSD17B10TSHRALOX15TNKS2MMP1
SCHEMBL920547 0.84 TNKS2 (0.47) TSHRTNKS2ENPP2CA2PTGS2
SCHEMBL13220709 0.83 PTGS2 (0.57) TSHRTNKS2ENPP2CA2PTGS2
SCHEMBL13015950 0.82 ERN1 (0.39) TSHRMAPTENPP2CA2PTGS2
SCHEMBL13908971 0.81 TNKS2 (0.62) PDE4DTNKS2POLB
SCHEMBL5782140 0.80 ALDH1A1 (0.46) TSHRTNKS2PTGS2NPC1POLB
SCHEMBL5786822 0.79 MAPT (0.55) HSD17B10TSHRALOX15MAPTCYP3A4
SCHEMBL7371460 0.79 PTGS2 (0.47) HSD17B10TSHRALOX15PDE4APDE4B
SCHEMBL13347640 0.77 ALDH1A1 (0.33) TSHRMAPTTNKS2ENPP2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130289109-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-31 US disclosed
US-8501809-B2 Inhibitors of α4 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-06 US disclosed
US-20110077299-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION KAWAGUCHI TAKAYUKI 2011-03-31 US disclosed
US-7872151-B2 asthma, allergic conditions such as rhinitis, inflammatory bowel disease such as ulcerative colitis and Crohn's disease, rheumatoid arthritis, atopic dermatitis, multiple sclerosis; condensing N-(2,6-Difluorobenzoyl)-4-(2,6-dimethoxy-4-formal methylphenyl)-L-phenylalanine ethyl ester with ethanol MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-7872151-B2 asthma, allergic conditions such as rhinitis, inflammatory bowel disease such as ulcerative colitis and Crohn's disease, rheumatoid arthritis, atopic dermatitis, multiple sclerosis; condensing N-(2,6-Difluorobenzoyl)-4-(2,6-dimethoxy-4-formal methylphenyl)-L-phenylalanine ethyl ester with ethanol MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20100217001-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-26 US disclosed
US-20100217001-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-26 US disclosed
US-20100217001-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-26 US disclosed
EP-2202233-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 EP disclosed
EP-2202233-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 EP disclosed
US-7026501-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2006-04-11 US disclosed
US-20050282900-A1 Inhibitors of alpha4 mediated cell adhesion MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
WO-2005061440-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-07-07 WO disclosed
EP-1315694-B1 INHIBITORS OF ALPHA 4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2005-04-06 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-20030176498-A1 Inhibitors of alpha4mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-09-18 US disclosed
EP-1315694-A2 INHIBITORS OF ALPHA 4 MEDIATED CELL ADHESION Tanabe Seiyaku Co., Ltd. (JP) 2003-06-04 EP disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
WO-2002018320-A2 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2002-03-07 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-20050282900-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 HSD17B10 2849/4885TSHR 1330/4885ALOX15 3366/4885
US-20130289109-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 HSD17B10 2849/4885TSHR 1330/4885ALOX15 3366/4885
US-20110077299-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION ITGB4, ITGA4, VCAM1 HSD17B10 2849/4885TSHR 1330/4885ALOX15 3366/4885
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 HSD17B10 2380/4885TSHR 2994/4885ALOX15 1169/4885
US-20030176498-A1 Inhibitors of alpha4mediated cell adhesion ITGB4, VCAM1, EPCAM HSD17B10 2516/4885TSHR 2496/4885ALOX15 3553/4885
US-20100217001-A1 METHOD FOR PRODUCING PYRAZOLE FUSED RING DERIVATIVE CYP3A4, CYP4B1, CYP51A1 HSD17B10 221/4885TSHR 4052/4885ALOX15 1335/4885

“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.