SCHEMBL775406

SCHEMBL775406

O=C(N[C@H](CC1CC1)C(=O)O)c1ccc(Cl)c(C#Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.56
SORT1 Q99523 3/20 0.56
PIN1 Q13526 3/20 0.47
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP12 P39900 1/20 0.42
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
GPR132 Q9UNW8 1/20 0.40

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
SCHEMBL3197482 1.00 GRN (0.56) GRNSORT1PIN1CA1CA2
SCHEMBL5791606 0.84 GRN (0.53) GRNSORT1MMP2MMP9MMP12
SCHEMBL3217924 0.84 PIN1 (0.50) GRNSORT1PIN1CA1CA2
SCHEMBL3215269 0.82 PDK1 (0.52) GRNSORT1PIN1CA1CA2
SCHEMBL775213 0.79 GRN (0.59) GRNSORT1CA1CA2CTSS
SCHEMBL775888 0.78 PIN1 (0.43) GRNSORT1PIN1CA1CA2
SCHEMBL3217168 0.77 PDK1 (0.50) GRNSORT1PIN1CA1CA2
SCHEMBL3219146 0.75 GRN (0.62) GRNSORT1CA1CA2CTSL
SCHEMBL775068 0.75 GRN (0.62) GRNSORT1CA1CA2CTSL
SCHEMBL774766 0.75 CA1 (0.40) GRNSORT1PIN1CA1CA2

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-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US claimed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US claimed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US claimed
US-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents COMPASS PHARMACEUTICALS LLC (US) 2012-03-22 US disclosed
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents Compass Pharmaceuticals LLC. (US) 2011-07-21 US disclosed
US-20090018145-A1 Compositions and their use as anti-tumor agents COMPASS PHARMACEUTICALS LLC (US) 2009-01-15 US disclosed
EP-1802606-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP disclosed
WO-2006044975-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO 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-20120071513-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 GRN 1317/4885SORT1 2868/4885PIN1 4406/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 GRN 1317/4885SORT1 2868/4885PIN1 4406/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 GRN 1364/4885SORT1 3091/4885PIN1 4562/4885

“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.