SCHEMBL1608981

SCHEMBL1608981

Cn1sc2cc(O)c(O)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.50
CASP3 P42574 1/20 0.50
SRC P12931 3/20 0.37
GPR35 Q9HC97 1/20 0.37
MIF P14174 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
AKR1B1 P15121 1/20 0.32
HPGD P15428 1/20 0.32
MCL1 Q07820 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DAO P14920 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
SCHEMBL1608225 0.79 G6PD (0.39) G6PDCASP3KDM4EALDH1A1HPGD
SCHEMBL28348926 0.77 G6PD (0.56) G6PDCASP3MIFKDM4EALDH1A1
SCHEMBL17191871 0.76 CA12 (0.38) SRCGPR35
SCHEMBL19425902 0.76 NPC1 (0.35) SRCGPR35HPGD
SCHEMBL15680241 0.69 G6PD (0.36) G6PDCASP3KDM4EALDH1A1HPGD
SCHEMBL15680200 0.69 SRC (0.48) SRCKDM4EALDH1A1CYP3A4THRB
SCHEMBL15680602 0.69 ESR1 (0.36) CASP3
SCHEMBL50008 0.67 CASP3 (1.00) G6PDCASP3KDM4EALDH1A1HPGD
SCHEMBL92179 0.66 G6PD (0.51) G6PDCASP3MIFKDM4EALDH1A1
SCHEMBL17300638 0.65 HPGD (0.33) G6PDKDM4EALDH1A1CYP3A4THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150344502-A1 CEPHEM COMPOUND SHIONOGI & CO., LTD. (JP) 2015-12-03 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 WO disclosed
US-8318785-B2 Pharmaceutical compounds ORION CORPORATION (FI) 2012-11-27 US disclosed
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2011-04-14 US disclosed
EP-1910325-B1 NEW PHARMACEUTICAL COMPOUNDS ORION CORP (FI) 2010-10-06 EP disclosed
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS ORION CORPORATION (FI) 2009-08-20 US 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL G6PD 286/4885CASP3 2641/4885SRC 4027/4885
US-20090209532-A1 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, UGT1A1 G6PD 96/4885CASP3 4186/4885SRC 2835/4885
US-20150344502-A1 CEPHEM COMPOUND PRMT6, CEP170, NR0B1 G6PD 1736/4885CASP3 4093/4885SRC 1614/4885
US-20110086852-A2 PHARMACEUTICAL COMPOUNDS COMT, CYP2C19, CYP3A4 G6PD 207/4885CASP3 3795/4885SRC 1244/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 G6PD 647/4885CASP3 1606/4885SRC 3055/4885

“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.