SCHEMBL4584162

SCHEMBL4584162

CCOC(=O)c1ncc(Cc2ccc(F)cc2)cc1NCCCP(=O)(OCC)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
CCR6 P51684 1/20 0.35
KMT2A Q03164 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PDE4B Q07343 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL5540769 0.84 MEN1 (0.37) PTGER4POLBLMNAKDM4EMAPT
SCHEMBL5540936 0.83 KCNQ3 (0.41) POLBLMNAKDM4EMAPTNPSR1
SCHEMBL5004713 0.81 LMNA (0.44) POLBLMNAKDM4EMAPTNPSR1
SCHEMBL5538446 0.80 ALDH1A1 (0.40) POLBLMNAKDM4EMAPTNPSR1
SCHEMBL5540554 0.80 LMNA (0.39) POLBLMNAKDM4EMAPTNPSR1
SCHEMBL5545678 0.79 MAPT (0.42) POLBLMNAKDM4EMAPTNPSR1
SCHEMBL4585782 0.79 POLB (0.35) POLBLMNAKDM4EMAPTNPSR1
SCHEMBL5545570 0.79 ALDH1A1 (0.43) POLBLMNAKDM4EMAPTNPSR1
SCHEMBL5545753 0.78 LMNA (0.46) POLBLMNAKDM4EMAPTNPSR1
SCHEMBL5546436 0.78 RAB9A (0.41) POLBLMNAKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1910355-A2 HIV INTEGRASE INHIBITORS SmithKline Beecham Corporation (US) 2008-04-16 EP disclosed
WO-2007019100-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 WO 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 PTGER4 4684/4885POLB 136/4885LMNA 4141/4885

“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.