SCHEMBL3979257

SCHEMBL3979257

COc1cccc2[nH]c(=O)c(C(=O)O)c(O)c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
PARP1 P09874 2/20 0.46
KDM4E B2RXH2 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
APLNR P35414 3/20 0.45
ATM Q13315 1/20 0.44
MAPKAPK2 P49137 1/20 0.43

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
SCHEMBL3981085 0.87 MEN1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL2483507 0.82 KDM4E (0.50) NPC1RAB9AKMT2APARP1KDM4E
SCHEMBL13597995 0.81 KMT2A (0.56) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL13597996 0.79 MEN1 (0.54) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL11983220 0.78 HDAC4 (0.51) MEN1NPC1RAB9AKMT2AABCG2
SCHEMBL12668712 0.77 SLC2A1 (0.61) CA12CA1CA2CA7CA9
SCHEMBL13597994 0.76 KMT2A (0.63) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL14335694 0.76 CYP19A1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL7826753 0.76 KDM4E (0.38) MEN1NPC1RAB9AKMT2AKDM4E
SCHEMBL14376042 0.75 HDAC4 (0.65) MEN1NPC1RAB9AKMT2AABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO 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 (1 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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 CA12 4882/4885CA1 4883/4885CA2 4825/4885

“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.