SCHEMBL4304597

SCHEMBL4304597

COC(=O)c1cc(N)c(O)c(C(=O)OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
ALDH1A1 P00352 8/20 0.61
GAA P10253 7/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 3/20 0.61
MAPT P10636 3/20 0.61
GLA P06280 2/20 0.61
CASP1 P29466 1/20 0.61
CASP7 P55210 1/20 0.61
ATM Q13315 1/20 0.61
XDH P47989 2/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FUT7 Q11130 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL5924237 0.88 KDM4E (0.63) KDM4EALDH1A1GAAHPGDHSD17B10
Hydrochloric Acid SCHEMBL9064595 0.86 KDM4E (0.61) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL5161494 0.86 KDM4E (0.65) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL13993933 0.83 CA12 (0.52) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2663753 0.83 GAA (0.74) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL11071838 0.81 KDM4E (0.49) KDM4EALDH1A1GAAHPGDHSD17B10
Hydrochloric Acid SCHEMBL31440687 0.81 GAA (0.71) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL750862 0.81 KDM4E (0.55) KDM4EALDH1A1GAAHPGDHSD17B10
Hydrochloric Acid SCHEMBL642672 0.81 GAA (0.71) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL204027 0.80 KDM4E (0.47) KDM4EALDH1A1GAAHPGDHSD17B10

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-7582719-B1 Carboxylic-acid-terminated hyperbranched poly(benzoxazole) and the star block copolymers therefrom THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-09-01 US disclosed
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
EP-2045242-A1 Heterocyclic compounds having inhibitory activity against HIV integrase Shionogi&Co., Ltd. (JP) 2009-04-08 EP disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 KDM4E 1722/4885ALDH1A1 381/4885GAA 1549/4885

“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.