Sugi Predict

Sugi Predict / Compounds / SCHEMBL87567

SCHEMBL87567

SCHEMBL87567

CC[C@@H](C(=O)NC(CC(=O)OC(C)(C)C)C(O)CF)n1ccc2ccc(Cl)cc2c1=O

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 1/20 0.31
▸ CASP1 P29466 3/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ F11 P03951 3/20 0.30
▸ KLKB1 P03952 3/20 0.30
▸ CYP3A4 P08684 2/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ BACE1 P56817 2/20 0.30

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
SCHEMBL12060229 0.88 CASP1 (0.32) CASP1SLC6A2SLC6A4
SCHEMBL87375 0.86 CASP1 (0.37) CASP1
SCHEMBL8321712 0.86 CASP1 (0.37) CASP1
SCHEMBL13633200 0.80 CASP1 (0.42) CASP1
SCHEMBL3586548 0.79 CYP1A2 (0.37) CASP1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3586549 0.79 CYP1A2 (0.37) CASP1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3586550 0.79 CYP1A2 (0.37) CASP1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL12046989 0.78 CASP1 (0.39) CASP1
SCHEMBL8320800 0.78 CASP1 (0.39) CASP1
SCHEMBL87371 0.78 MDM2 (0.41) DDR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129381-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 — — US disclosed
US-8129381-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-06 — — US disclosed
US-8071618-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-06 — — US disclosed
US-20100137359-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-03 — — US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 — — US disclosed
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-12 — — US disclosed
US-7612091-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 — — US disclosed
US-7612091-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-11-03 — — US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 — — US disclosed
US-7553852-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-06-30 — — 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-20100137359-A1 CASPASE INHIBITORS AND USES THEREOF CASP3, CASP1, CASP5 DDR1 1779/4885CASP1 2/4885SLC6A2 2107/4885
US-20090281128-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP5, CASP3 DDR1 2574/4885CASP1 1/4885SLC6A2 4853/4885

“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.