Sugi Predict

Sugi Predict / Compounds / SCHEMBL10201636

SCHEMBL10201636

SCHEMBL10201636

O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CCN(NC(=O)Cc3ccc4c(c3)OCO4)C(=O)N12

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 7/20 0.50
▸ IL1B P01584 2/20 0.47
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ SIGMAR1 Q99720 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ TRPV1 Q8NER1 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
SCHEMBL10200547 0.94 CASP1 (0.43) CASP1IL1BITGB1ITGA4ALDH1A1
SCHEMBL10201624 0.94 CASP1 (0.49) CASP1IL1BITGB1ITGA4ALDH1A1
SCHEMBL10247783 0.88 CASP1 (0.54) CASP1IL1BITGB1ITGA4TSHR
SCHEMBL10199765 0.88 CASP1 (0.54) CASP1IL1BITGB1ITGA4TSHR
SCHEMBL10200533 0.87 CASP1 (0.43) CASP1IL1BITGB1ITGA4ALDH1A1
SCHEMBL10199965 0.87 CASP1 (0.62) CASP1IL1BITGB1ITGA4
SCHEMBL10248120 0.87 CASP1 (0.62) CASP1IL1BITGB1ITGA4
SCHEMBL10201614 0.87 CASP1 (0.51) CASP1IL1BITGB1ITGA4ALDH1A1
SCHEMBL10201628 0.86 CASP1 (0.48) CASP1IL1BALDH1A1
SCHEMBL10247865 0.83 CASP1 (0.50) CASP1IL1BITGB1ITGA4TSHR

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 CASP1 6/4885IL1B 3/4885ITGB1 1654/4885
US-20120165319-A1 INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME IL1A, IFNAR1, IL1B CASP1 6/4885IL1B 3/4885ITGB1 1654/4885
US-20080039449-A1 Inhibitors of interleukin-1beta converting enzyme IL1A, IL1B, IFNAR1 CASP1 5/4885IL1B 2/4885ITGB1 2331/4885

“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.