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Sugi Predict / Compounds / SCHEMBL10201691

SCHEMBL10201691

SCHEMBL10201691

O=C(NN1CCC(=O)N2CCC[C@@H](C(=O)O)N2C1=O)c1ccc2c(c1)OCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SLC6A12 P48065 1/20 0.40
▸ SLC6A13 Q9NSD5 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ PKM P14618 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TAS1R3 Q7RTX0 1/20 0.39

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
SCHEMBL10201690 0.90 NPC1 (0.41) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL10199765 0.84 CASP1 (0.54) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL10247783 0.84 CASP1 (0.54) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL10284940 0.83 ACE (0.46) SMN1; SMN2HTTALDH1A1
SCHEMBL10200197 0.80 CASP1 (0.51) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL10200200 0.80 CASP1 (0.45) NPC1RAB9ATSHRALDH1A1SLC6A12
SCHEMBL10201614 0.76 CASP1 (0.51) SMN1; SMN2HPGDTSHRALDH1A1
SCHEMBL10200526 0.74 CASP1 (0.44) SMN1; SMN2HPGDKMT2ATSHRALDH1A1
SCHEMBL13178923 0.73 CASP1 (0.42) KMT2AHTTALDH1A1MAPK1
SCHEMBL10248630 0.72 ACE (0.47) SMN1; SMN2KMT2AHTTALDH1A1

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 9 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
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme BATCHELOR MARK J 2008-02-14 — — 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 (3 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 NPC1 948/4885RAB9A 3220/4885SMN1; SMN2 2804/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B NPC1 948/4885RAB9A 3220/4885SMN1; SMN2 2804/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 NPC1 963/4885RAB9A 3323/4885SMN1; SMN2 2598/4885

“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.