SCHEMBL9741507

SCHEMBL9741507

COc1ccc(COc2c[nH]c(C(=O)O)cc2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 2/20 0.51
PLA2G4B P0C869 1/20 0.46
FFAR1 O14842 1/20 0.46
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SRD5A1 P18405 1/20 0.44
SRD5A2 P31213 1/20 0.44
PTGER1 P34995 1/20 0.43
RXRA P19793 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
PPARA Q07869 2/20 0.43
HTT P42858 2/20 0.42

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
SCHEMBL2492367 0.85 SRD5A2 (0.52) RAB9ASMN1; SMN2POLBSRD5A1SRD5A2
SCHEMBL2438835 0.82 NPC1 (0.50) RAB9ASMN1; SMN2NPC1POLBHDAC8
SCHEMBL3600996 0.81 POLB (0.44) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL3601000 0.81 FFAR1 (0.57) RAB9ASMN1; SMN2NPC1POLBFFAR1
SCHEMBL106114 0.81 NPC1 (0.43) RAB9ASMN1; SMN2NPC1POLBFFAR1
SCHEMBL10697870 0.80 HDAC8 (0.47) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL10697865 0.80 HDAC8 (0.47) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL104633 0.79 MTNR1A (0.42) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL9366663 0.78 NPC1 (0.48) RAB9ASMN1; SMN2NPC1POLBHDAC8
SCHEMBL16229042 0.78 NPC1 (0.43) RAB9ASMN1; SMN2NPC1POLBFFAR1

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
EP-2706062-B1 NOVEL CEPHALOSPORIN DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF LEGOCHEM BIOSCIENCES INC (KR) 2018-05-09 EP disclosed
US-9630977-B2 Cephalosporin derivatives and pharmaceutical compositions thereof LEGOCHEM BIOSCIENCES, INC. (KR) 2017-04-25 US disclosed
US-8883773-B2 Cephem compound having pseudo-catechol group SHIONOGI & CO., LTD. (JP) 2014-11-11 US disclosed
EP-2706062-A2 NOVEL CEPHALOSPORIN DERIVATIVE AND PHARMACEUTICAL COMPOSITION THEREOF LegoChem Biosciences, Inc. (KR) 2014-03-12 EP disclosed
US-20130178455-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCES, INC (US) 2013-07-11 US disclosed
US-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-03-28 US disclosed
US-8329684-B2 Cephalosporin derivatives and pharmaceutical compositions thereof LEGOCHEM BIOSCIENCES, INC. (KR) 2012-12-11 US disclosed
US-20120264727-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF LEGOCHEM BIOSCIENCES, INC. (KR) 2012-10-18 US disclosed
WO-2012134184-A2 NOVEL CEPHALOSPORIN DERIVATIVE AND MEDICAL COMPOSITION CONTAINING SAME 주식회사 레고켐 바이오사이언스 (KR) 2012-10-04 WO disclosed
WO-1992021683-A1 NEW CEPHEM COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-12-10 WO disclosed
EP-0308559-A2 Cephalosporins, process for their preparation, pharmaceutical compositions containing them and intermediates BEECHAM GROUP PLC (GB) 1989-03-29 EP disclosed
EP-0265185-A2 Cephalosporins, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-04-27 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 (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-20130079319-A1 CEPHEM COMPOUND HAVING PSEUDO-CATECHOL GROUP CENPE, CCNE2, CEP170 RAB9A 2540/4885SMN1; SMN2 4554/4885NPC1 2834/4885
US-20130178455-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF CSDE1, CELA1, ABCC1 RAB9A 2175/4885SMN1; SMN2 4372/4885NPC1 1325/4885
US-20120264727-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF CSDE1, CELA1, ABCC1 RAB9A 2175/4885SMN1; SMN2 4372/4885NPC1 1325/4885

“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.