SCHEMBL3746590

SCHEMBL3746590

COC(=O)c1coc2cc(O[Si](C)(C)C(C)(C)C)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA9 Q16790 4/20 0.46
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
HPGD P15428 3/20 0.39
RAB9A P51151 3/20 0.39
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL4367744 0.83 ALDH1A1 (0.57) CA12CA1CA9ALDH1A1MAPT
SCHEMBL1324185 0.83 KDM4E (0.40) ALDH1A1MAPTKDM4EGAANPSR1
SCHEMBL31733152 0.78 PDE4B (0.51) CA12CA1CA9ALDH1A1KDM4E
SCHEMBL30007012 0.78 CA12 (0.43) CA12CA1CA9MAPTKDM4E
SCHEMBL20046200 0.78 CA1 (0.43) CA12CA1CA9ALDH1A1MAPT
SCHEMBL7628586 0.78 CA12 (0.53) CA12CA1CA9ALDH1A1MAPT
SCHEMBL2201771 0.78 CA12 (0.43) CA12CA1CA9MAPTKDM4E
SCHEMBL31704227 0.77 SMN1; SMN2 (0.49) ALDH1A1MAPTKDM4EGAAMAOA
SCHEMBL6519025 0.77 KDM4E (0.50) CA12CA1CA9ALDH1A1MAPT
SCHEMBL16857041 0.77 ALDH1A1 (0.53) CA12CA1CA9ALDH1A1MAPT

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
EP-2430019-B1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2013-09-18 EP disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
US-8399465-B2 Compounds with two fused bicyclic heteroaryl moieties as modulators of leukotriene A4 hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-03-19 US disclosed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US disclosed
US-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 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 (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-20100292208-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R CA12 4833/4885CA1 4798/4885CA9 4752/4885

“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.