SCHEMBL15782879

SCHEMBL15782879

CCc1cc2nc[nH]c2c(O)c1C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.36
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PRKCI P41743 1/20 0.33
TSHR P16473 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MGMT P16455 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.30
PARP1 P09874 1/20 0.30

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
SCHEMBL19841043 0.88 PRKCI (0.35) SLC2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL18598737 0.81 SLC2A1 (0.34) SLC2A1PDE4APDE4BPDE4CPDE4D
SCHEMBL15782865 0.76 PRKCI (0.33) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL15782884 0.72 PRKCI (0.35) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL17826653 0.71 PRKCI (0.37) PRKCI
SCHEMBL15782880 0.70 PRKCI (0.33) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL12948357 0.70 MTNR1A (0.36) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL15782871 0.69 PRKCI (0.33) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL15782872 0.69 PRKCI (0.33) PRKCIMEN1KMT2ACYP3A4HPGD
SCHEMBL9222057 0.67 NPC1 (0.35) SLC2A1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-11-24 US disclosed
EP-1753713-B1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF HARVARD COLLEGE (US) 2016-07-27 EP disclosed
US-9365493-B2 Synthesis of tetracyclines and analogues thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-06-14 US disclosed
US-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-12 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-20140163238-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC SLC2A1 2745/4885PDE4A 4622/4885PDE4B 4589/4885
US-20160340325-A1 SYNTHESIS OF TETRACYCLINES AND ANALOGUES THEREOF TET1, TET3, MYC SLC2A1 2745/4885PDE4A 4622/4885PDE4B 4589/4885

“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.