SCHEMBL2817757

SCHEMBL2817757

C[C@H]1OC(Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@](O)(C(=O)C=Cc2ccc(O)cc2)[C@](O)(C(=O)/C=C\c2ccc(O)cc2)[C@@H]1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CBS P35520 1/20 0.63
NQO2 P16083 1/20 0.57
CYP3A4 P08684 10/20 0.57
CA12 O43570 3/20 0.57
CA4 P22748 3/20 0.57
CA7 P43166 3/20 0.57
TYR P14679 1/20 0.57
CA2 P00918 2/20 0.54
RPS6KA3 P51812 5/20 0.54
CYP2D6 P10635 3/20 0.54
RPS6KA1 Q15418 1/20 0.54
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
RECQL P46063 1/20 0.51
MCL1 Q07820 1/20 0.51
POLH Q9Y253 1/20 0.51
P4HB P07237 1/20 0.50

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
SCHEMBL15194206 0.89 CA12 (0.59) CBSCYP3A4CA12CA4CA7
SCHEMBL572227 0.87 CBS (0.59) CBSNQO2CYP3A4CA12CA4
SCHEMBL572246 0.83 CA12 (0.56) CBSNQO2CYP3A4CA12CA4
SCHEMBL13963385 0.77 CBS (1.00) CBSNQO2CYP3A4CA12CA4
SCHEMBL13973879 0.77 CBS (1.00) CBSNQO2CYP3A4CA12CA4
SCHEMBL24464005 0.77 CBS (0.88) CBSNQO2CYP3A4CA12CA4
SCHEMBL29753914 0.77 CBS (0.88) CBSNQO2CYP3A4CA12CA4
SCHEMBL24464006 0.77 CBS (0.88) CBSNQO2CYP3A4CA12CA4
SCHEMBL161773 0.77 CBS (0.88) CBSNQO2CYP3A4CA12CA4
SCHEMBL16131011 0.77 CBS (1.00) CBSNQO2CYP3A4CA12CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633166-B2 Methicillin-resistant Staphylococcus aureus active metabolites HAMANN, MARK T. 2014-01-21 US disclosed
US-8633166-B2 Methicillin-resistant Staphylococcus aureus active metabolites HAMANN, MARK T. 2014-01-21 US disclosed
US-20100273726-A1 METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS ACTIVE METABOLITES ISOLATED FROM LAURUS NOBILIS AND COMBINATIONS THEREOF TRITON BIOPHARMA (US) 2010-10-28 US disclosed
US-20100273726-A1 METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS ACTIVE METABOLITES ISOLATED FROM LAURUS NOBILIS AND COMBINATIONS THEREOF TRITON BIOPHARMA (US) 2010-10-28 US disclosed
WO-2010107793-A1 METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS ACTIVE METABOLITES THE UNIVERSITY OF MISSISSIPPI (US) 2010-09-23 WO disclosed
US-20100234311-A1 Methicillin-Resistant Staphylococcus Aureus Active Metabolites THE UNIVERSITY OF MISSISSIPPI (US) 2010-09-16 US disclosed
US-20100234311-A1 Methicillin-Resistant Staphylococcus Aureus Active Metabolites THE UNIVERSITY OF MISSISSIPPI (US) 2010-09-16 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 (2 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-20100273726-A1 METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS ACTIVE METABOLITES ISOLATED FROM LAURUS NOBILIS AND COMBINATIONS THEREOF MRPS18A, CD14, MRPL38 CBS 4674/4885NQO2 3138/4885CYP3A4 3662/4885
US-20100234311-A1 Methicillin-Resistant Staphylococcus Aureus Active Metabolites HM13, FOS, MRPS23 CBS 4757/4885NQO2 1995/4885CYP3A4 4387/4885

“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.