SCHEMBL774766

SCHEMBL774766

O=C(N[C@@H](CC1=CNC2C=CC=CC12)C(=O)O)c1ccc(Cl)c(C#Cc2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
PIN1 Q13526 3/20 0.40
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
UBASH3B Q8TF42 1/20 0.35
TOP2A P11388 1/20 0.35

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
SCHEMBL773371 0.80 CA2 (0.39) CA1CA2PIN1GRNSORT1
SCHEMBL3217924 0.75 PIN1 (0.50) CA1CA2PIN1GRNSORT1
SCHEMBL775406 0.75 GRN (0.56) CA1CA2PIN1GRNSORT1
SCHEMBL3197482 0.75 GRN (0.56) CA1CA2PIN1GRNSORT1
SCHEMBL775888 0.74 PIN1 (0.43) CA1CA2PIN1GRNSORT1
SCHEMBL3215269 0.74 PDK1 (0.52) CA1CA2PIN1GRNSORT1
SCHEMBL14668918 0.73 ERAP2 (0.39) CA1CA2PIN1
SCHEMBL14667374 0.71 LNPEP (0.40)
SCHEMBL3217168 0.69 PDK1 (0.50) CA1CA2PIN1GRNSORT1
SCHEMBL20011787 0.68

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 CA1 216/4885CA2 901/4885PIN1 4406/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 CA1 216/4885CA2 901/4885PIN1 4406/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 CA1 153/4885CA2 768/4885PIN1 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.