SCHEMBL775068

SCHEMBL775068

O=C(N[C@H](CC1CC1)C(=O)O)c1ccc(Cl)c(-c2ccc(Cl)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.62
SORT1 Q99523 3/20 0.62
MAPK14 Q16539 5/20 0.51
CA2 P00918 9/20 0.46
CA1 P00915 8/20 0.46
CTSL P07711 1/20 0.41
CCKBR P32239 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
SCHEMBL3219146 1.00 GRN (0.62) GRNSORT1MAPK14CA2CA1
SCHEMBL775213 0.93 GRN (0.59) GRNSORT1MAPK14CA2CA1
SCHEMBL3224555 0.88 GRN (0.61) GRNSORT1MAPK14CA2CA1
SCHEMBL14594658 0.88 GRN (0.61) GRNSORT1MAPK14CA2CA1
SCHEMBL5792757 0.84 GRN (0.56) GRNSORT1MAPK14CA2CA1
SCHEMBL777310 0.84 GRN (0.56) GRNSORT1CTSL
SCHEMBL774953 0.83 GRN (0.64) GRNSORT1CA2CA1CTSL
SCHEMBL3218303 0.82 GRN (0.59) GRNSORT1CA2CA1CTSL
SCHEMBL3222613 0.79 GRN (0.51) GRNSORT1CTSL
SCHEMBL775278 0.78 GRN (0.57) GRNSORT1CTSLCCKBR

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 GRN 1317/4885SORT1 2868/4885MAPK14 3637/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 GRN 1317/4885SORT1 2868/4885MAPK14 3637/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 GRN 1364/4885SORT1 3091/4885MAPK14 3228/4885

“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.