SCHEMBL1455508

SCHEMBL1455508

CCOC(=O)c1cc(N)c(Sc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.46
▸ KMT2A Q03164 4/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ABL1 P00519 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ RAB9A P51151 4/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ NFKB2 Q00653 2/20 0.35
▸ RELA Q04206 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL1455403 0.86 EPHX2 (0.46) EPHX2KMT2AALDH1A1HPGDMEN1
SCHEMBL5013263 0.78 EPHX2 (0.35) EPHX2KMT2ANPC1MAPTMEN1
SCHEMBL14914206 0.77 EPHX2 (0.58) EPHX2KMT2ANPC1MAPTALDH1A1
SCHEMBL1455020 0.76 ABL1 (0.37) EPHX2ABL1KIT
SCHEMBL15160758 0.73 EPHX2 (0.62) EPHX2KMT2ANPC1ALDH1A1HPGD
SCHEMBL8366871 0.73 EPHX2 (0.64) EPHX2KMT2ANPC1ALDH1A1HPGD
SCHEMBL728117 0.73 EPHX2 (0.64) EPHX2KMT2AMAPTKDM4ETDP1
SCHEMBL1454290 0.71 EPHX2 (0.41) EPHX2KMT2AMAPTALDH1A1HPGD
SCHEMBL14647849 0.71 EPHX2 (0.64) EPHX2KMT2ANPC1MAPTALDH1A1
SCHEMBL694267 0.71 EPHX2 (0.64) EPHX2KMT2ANPC1HPGDRAB9A

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
US-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 — — US disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 — — EP disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 — — US disclosed
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 — — US disclosed
EP-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 — — EP disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 — — WO disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 — — 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 (2 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EPHX2 3223/4885KMT2A 3566/4885NPC1 37/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EPHX2 3223/4885KMT2A 3566/4885NPC1 37/4885

“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.

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