Sugi Predict

Sugi Predict / Compounds / SCHEMBL312343

SCHEMBL312343

SCHEMBL312343

O=C(O)CC(NC(=O)CN1CCc2ccccc2C1=O)C(=O)CF

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 7/20 0.51
▸ ITGA2B P08514 7/20 0.51
▸ ALDH1A1 P00352 2/20 0.45
▸ PER2 O15055 1/20 0.43
▸ CRY2 Q49AN0 1/20 0.43
▸ CASP1 P29466 3/20 0.42
▸ CASP3 P42574 3/20 0.41
▸ CASP9 P55211 2/20 0.41
▸ CASP8 Q14790 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ POLB P06746 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
SCHEMBL8411016 0.89 ITGB3 (0.51) ITGB3ITGA2BALDH1A1PER2CRY2
SCHEMBL311793 0.89 THRB (0.52) ITGB3ITGA2BPER2CRY2CASP1
SCHEMBL7382571 0.89 ITGB3 (0.54) ITGB3ITGA2BALDH1A1PER2CRY2
SCHEMBL7420894 0.87 ITGB3 (0.52) ITGB3ITGA2BALDH1A1PER2CRY2
SCHEMBL7376631 0.83 CASP1 (0.49) ITGB3ITGA2BALDH1A1CASP1CASP3
SCHEMBL7383422 0.83 ITGB3 (0.45) ITGB3ITGA2BALDH1A1CASP1CASP3
SCHEMBL7466002 0.82 CASP1 (0.51) ITGB3ITGA2BALDH1A1CASP1CASP3
SCHEMBL7382605 0.80 CASP1 (0.54) ITGB3ITGA2BALDH1A1CASP1CASP3
SCHEMBL7601197 0.80 CASP1 (0.54) ITGB3ITGA2BALDH1A1CASP1CASP3
SCHEMBL7891700 0.80 ALDH1A1 (0.45) ITGB3ITGA2BALDH1A1CASP1THRB

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288537-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 — — US disclosed
US-8288537-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 — — US disclosed
US-8288537-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 — — US disclosed
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-29 — — US disclosed
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-29 — — US disclosed
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-29 — — US disclosed
US-8093392-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-10 — — US disclosed
US-8093392-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-10 — — US disclosed
US-8093392-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-10 — — US disclosed
US-20110130436-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-02 — — US disclosed
US-7906650-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 — — US disclosed
US-7906650-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 — — US disclosed
US-7906650-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-15 — — US disclosed
US-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — US disclosed
US-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — US disclosed
US-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 — — US disclosed
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 — — US disclosed
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 — — US disclosed
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 — — US disclosed
US-20030232846-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 — — 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 (4 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-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 ITGB3 2293/4885ITGA2B 4075/4885ALDH1A1 3121/4885
US-20120077830-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 ITGB3 2293/4885ITGA2B 4075/4885ALDH1A1 3121/4885
US-20110130436-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 ITGB3 2293/4885ITGA2B 4075/4885ALDH1A1 3121/4885
US-20030232846-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP2 ITGB3 2470/4885ITGA2B 3838/4885ALDH1A1 2618/4885

“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.