SCHEMBL581463

SCHEMBL581463

COC(=O)c1ccnc(Cc2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KLKB1 P03952 3/20 0.45
MAP4K1 Q92918 3/20 0.45
KDM4E B2RXH2 4/20 0.45
KDM6B O15054 1/20 0.45
KDM5C P41229 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
KDM3A Q9Y4C1 1/20 0.45
MAPK8 P45983 1/20 0.43
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM5B Q9UGL1 3/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL580761 0.93 PTGS2 (0.41) PTGS2CA1CA2CA9CA12
SCHEMBL933287 0.84 KLKB1 (0.46) KLKB1MAP4K1KDM4EKDM5CKDM4C
SCHEMBL16891523 0.84 KDM4E (0.49) KLKB1MAP4K1KDM4EKDM6BKDM5C
SCHEMBL17442592 0.83 KLKB1 (0.63) KLKB1MAP4K1ALOX15
SCHEMBL16880817 0.83 KDM4E (0.48) KLKB1MAP4K1KDM4EKDM6BKDM5C
SCHEMBL581173 0.83 KDM5B (0.56) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL580585 0.82 KDM5B (0.56) CA1CA2KDM4EKDM6BKDM5C
SCHEMBL16880902 0.80 KLKB1 (0.47) KLKB1MAP4K1KDM4EKDM6BKDM5C
SCHEMBL581445 0.80 MRGPRX4 (0.46) KLKB1MAP4K1KDM4EKDM6BKDM5C
SCHEMBL17442773 0.79 KLKB1 (0.64) KLKB1MAP4K1ALOX15

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-8415378-B2 Isoxazol-3(2H)-one analogs as therapeutic agents ASTRAZENECA AB (SE) 2013-04-09 US disclosed
EP-2417131-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS AstraZeneca AB (SE) 2012-02-15 EP disclosed
WO-2010117323-A1 METHOD AND APPARATUS FOR PRODUCING HEAT ENERGY AND CARBON DIOXIDE ASTRAZENECA AB (SE) 2010-10-14 WO disclosed
US-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2010-10-14 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-20100261755-A1 ISOXAZOL-3(2H)-ONE ANALOGS AS THERAPEUTIC AGENTS NR4A3, CBR3, OXER1 PTGS2 4749/4885CA1 2737/4885CA2 1843/4885

“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.