SCHEMBL4585782

SCHEMBL4585782

CCOC(=O)CC(=O)N(CCCP(=O)(OCC)OCC)c1cc(Cc2ccc(F)cc2)cnc1C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
MAOB P27338 1/20 0.34
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
MAPT P10636 3/20 0.32
HPGD P15428 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
CCR6 P51684 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
LTA4H P09960 5/20 0.32
BTK Q06187 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL5540690 0.85 MAOB (0.35) POLBMAOBCXCR1CXCR2MAPT
SCHEMBL5547377 0.82 KDM4E (0.38) POLBMAOBCXCR1CXCR2MAPT
SCHEMBL5546803 0.81 MAPT (0.35) POLBMAOBCXCR1CXCR2MAPT
SCHEMBL5539039 0.81 ALDH1A1 (0.40) POLBMAPTHPGDMEN1KMT2A
SCHEMBL5538668 0.80 PDE3B (0.40) POLBMAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL5538835 0.80 PDE3B (0.38) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5544805 0.80 RAB9A (0.36) MAOBMAPTHPGDMEN1KMT2A
SCHEMBL4584162 0.79 PTGER4 (0.36) POLBMAOBMAPTHPGDMEN1
SCHEMBL5545489 0.79 ALDH1A1 (0.41) POLBMAPTHPGDMEN1KMT2A
SCHEMBL5543021 0.79 MAOB (0.41) POLBMAOBCXCR1CXCR2MAPT

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 POLB 136/4885MAOB 3623/4885CXCR1 2641/4885

“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.