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SCHEMBL10201818

SCHEMBL10201818

CC(=O)N1C[C@H](NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)C(=O)N(CC(=O)N[C@H](C=O)CC(=O)O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 8/20 0.38
▸ NOS2 P35228 2/20 0.37
▸ CYP3A4 P08684 4/20 0.36
▸ OXTR P30559 2/20 0.36
▸ BCL2L11 O43521 4/20 0.36
▸ BCL2 P10415 4/20 0.36
▸ MCL1 Q07820 4/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CASP1 P29466 2/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 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
SCHEMBL10248511 0.95 XIAP (0.38) XIAPNOS2CYP3A4OXTRBCL2L11
SCHEMBL10200499 0.95 XIAP (0.38) XIAPNOS2CYP3A4OXTRBCL2L11
SCHEMBL10199339 0.91 XIAP (0.41) XIAPCYP3A4SMN1; SMN2CASP1
SCHEMBL10201832 0.89 MAOB (0.40) XIAPNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL10249655 0.86 XIAP (0.41) XIAPCYP3A4SMN1; SMN2
SCHEMBL10200507 0.83 MAPT (0.40) XIAPNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13139782 0.83 MAPT (0.40) XIAPNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL13140298 0.82 XIAP (0.41) XIAPCYP3A4CASP1
SCHEMBL10201749 0.82 XIAP (0.41) XIAPCYP3A4CASP1
SCHEMBL10201734 0.82 XIAP (0.41) XIAPCYP3A4CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 — — US disclosed
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-28 — — US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 — — US disclosed
US-8119631-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-21 — — US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — US disclosed
US-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-21 — — US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — US disclosed
US-7790713-B2 Inhibitors of interleukin-1β converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-07 — — 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-20110178069-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B XIAP 257/4885NOS2 1250/4885CYP3A4 2587/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B XIAP 257/4885NOS2 1250/4885CYP3A4 2587/4885

“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.