SCHEMBL948124

SCHEMBL948124

CC(C)(C)OC(=O)Oc1ccc2cccnc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
ELANE P08246 1/20 0.48
CA2 P00918 1/20 0.47
CYP3A4 P08684 1/20 0.46
P2RY14 Q15391 2/20 0.44
MEN1 O00255 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
PDE10A Q9Y233 1/20 0.44
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR4A2 P43354 1/20 0.41
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
ALOX15 P16050 1/20 0.40
CACNA2D1 P54289 1/20 0.39
PDGFRB P09619 1/20 0.39

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
SCHEMBL933272 0.87 CYP3A4 (0.54) ALDH1A1CYP3A4P2RY14MEN1CASP1
SCHEMBL30791497 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4P2RY14MEN1CASP1
SCHEMBL13889564 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4P2RY14MEN1CASP1
SCHEMBL11001315 0.81 P2RY14 (0.50) ALDH1A1CA2CYP3A4P2RY14MEN1
SCHEMBL4055008 0.81 ELANE (0.57) ALDH1A1ELANECA2MEN1KMT2A
SCHEMBL4061539 0.80 ELANE (0.65) ALDH1A1ELANECA2MEN1KMT2A
SCHEMBL933273 0.79 CYP3A4 (0.56) ALDH1A1CYP3A4P2RY14MEN1CASP1
SCHEMBL933920 0.78 ELANE (0.46) ALDH1A1ELANECA2CYP3A4CYP1A2
SCHEMBL6632328 0.78 ALDH1A1 (0.51) ALDH1A1CYP3A4P2RY14MEN1CASP1
SCHEMBL7814829 0.77 CYP3A4 (0.54) ALDH1A1CYP3A4P2RY14MEN1CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438078-B1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES UNIV KANSAS (US) 2017-10-25 EP disclosed
US-9120774-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2015-09-01 US disclosed
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-04 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212011-B2 Novobiocin analogues UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-8212012-B2 Novobiocin analogues having modified sugar moieties UNIVERSITY OF KANSAS (US) 2012-07-03 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
US-20110112100-A1 Hepatitis C Virus Inhibitors PFIZER INC. 2011-05-12 US disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
WO-2011004276-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-01-13 WO disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090187014-A1 Novobiocin Analogues UNIVERSITY OF KANSAS 2009-07-23 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 US disclosed
US-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-06-25 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 (4 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-20090163709-A1 Novobiocin Analogues Having Modified Sugar Moieties HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 3407/4885ELANE 4205/4885CA2 4571/4885
US-20110112100-A1 Hepatitis C Virus Inhibitors HAVCR2, SLC10A1, HCCS ALDH1A1 557/4885ELANE 1338/4885CA2 4333/4885
US-20120252745-A1 NOVOBIOCIN ANALOGUES HAVING MODIFIED SUGAR MOIETIES HSP90AB1, HSP90AB2P, HSP90B1 ALDH1A1 3066/4885ELANE 3672/4885CA2 4342/4885
US-20090187014-A1 Novobiocin Analogues SSB, SSBP1, BTD ALDH1A1 4519/4885ELANE 2455/4885CA2 4855/4885

“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.