SCHEMBL773371

SCHEMBL773371

O=C(N[C@@H](CC1=CNC2C=CC=CC12)C(=O)O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.39
CA1 P00915 10/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
UBASH3B Q8TF42 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
PIN1 Q13526 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
WDR5 P61964 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 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
SCHEMBL14668918 0.74 ERAP2 (0.39) CA2CA1PIN1
SCHEMBL3219146 0.73 GRN (0.62) CA2CA1GRNSORT1MAPK14
SCHEMBL775068 0.73 GRN (0.62) CA2CA1GRNSORT1MAPK14
SCHEMBL14667374 0.73 LNPEP (0.40) PDK1PDK2PDK3PDK4
SCHEMBL777499 0.69 CA1 (0.42) CA2CA1GRNSORT1ITGB1
SCHEMBL14667380 0.68 GRN (0.35) GRNSORT1ITGB1PDK1PDK2
SCHEMBL775213 0.67 GRN (0.59) CA2CA1GRNSORT1ITGB1
SCHEMBL3224555 0.65 GRN (0.61) CA2CA1GRNSORT1MAPK14
SCHEMBL14594658 0.65 GRN (0.61) CA2CA1GRNSORT1KMT2A
SCHEMBL775117 0.64 CA2 (0.64) CA2CA1GRNSORT1KMT2A

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-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
EP-1802606-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-07-04 EP claimed
WO-2006044975-A2 COMPOSITIONS AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO 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 CA2 901/4885CA1 216/4885GRN 1317/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 CA2 901/4885CA1 216/4885GRN 1317/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 CA2 768/4885CA1 153/4885GRN 1364/4885

“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.