SCHEMBL4583844

SCHEMBL4583844

CCOP(=O)(CCCn1c(=O)c(C(=O)NC)c(O)c2ncc(Cc3ccc(F)cc3)cc21)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 4/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NOD1 Q9Y239 2/20 0.35
TNF P01375 1/20 0.35
PKM P14618 1/20 0.35
XBP1 P17861 1/20 0.35
NOD2 Q9HC29 1/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4583837 0.93 L3MBTL1 (0.38) L3MBTL1CNR2HTTMEN1KMT2A
SCHEMBL4583709 0.91 L3MBTL1 (0.39) L3MBTL1CNR2HTTMEN1KMT2A
SCHEMBL4583258 0.91 KDM4E (0.43) L3MBTL1HTTSMN1; SMN2KDM4EPKM
SCHEMBL4585046 0.91 L3MBTL1 (0.39) L3MBTL1CNR2HTTMEN1KMT2A
SCHEMBL5032736 0.91 CNR2 (0.41) L3MBTL1CNR2HTTMEN1KMT2A
SCHEMBL5540948 0.86 L3MBTL1 (0.39) L3MBTL1CNR2HTTMEN1KMT2A
SCHEMBL5539051 0.86 CNR2 (0.42) L3MBTL1CNR2HTTMEN1KMT2A
SCHEMBL4583706 0.85 L3MBTL1 (0.39) L3MBTL1CNR2HTTMEN1KMT2A
SCHEMBL4761119 0.85 MEN1 (0.44) L3MBTL1MEN1KMT2AKDM4ETSHR
SCHEMBL14607857 0.85 KDM4E (0.43) L3MBTL1CNR2HTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US claimed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194523-A1 Hiv Integrase Inhibitors SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
WO-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20080194523-A1 Hiv Integrase Inhibitors ING2, API5, SAMHD1 L3MBTL1 1372/4885CNR2 4808/4885HTT 3612/4885

“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.