SCHEMBL774953

SCHEMBL774953

O=C(N[C@H](CC1CCCCC1)C(=O)O)c1ccc(Cl)c(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.64
SORT1 Q99523 3/20 0.64
CCKBR P32239 1/20 0.45
GPR132 Q9UNW8 1/20 0.45
METAP2 P50579 2/20 0.45
CTSL P07711 2/20 0.43
CTSS P25774 3/20 0.43
CTSB P07858 1/20 0.43
CTSK P43235 1/20 0.43
PYGL P06737 1/20 0.43
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
LTA4H P09960 1/20 0.41
CPB2 Q96IY4 2/20 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
SCHEMBL775278 0.86 GRN (0.57) GRNSORT1CCKBRGPR132CTSL
SCHEMBL3224555 0.84 GRN (0.61) GRNSORT1CCKBRGPR132CTSL
SCHEMBL14594658 0.84 GRN (0.61) GRNSORT1CCKBRGPR132CTSL
SCHEMBL3219146 0.83 GRN (0.62) GRNSORT1CCKBRCTSLCA1
SCHEMBL775068 0.83 GRN (0.62) GRNSORT1CCKBRCTSLCA1
SCHEMBL3218303 0.82 GRN (0.59) GRNSORT1CCKBRGPR132CTSL
SCHEMBL777310 0.80 GRN (0.56) GRNSORT1GPR132CTSLCTSS
SCHEMBL5792757 0.80 GRN (0.56) GRNSORT1CCKBRGPR132CTSL
SCHEMBL775213 0.78 GRN (0.59) GRNSORT1GPR132CTSSCA1
SCHEMBL24283553 0.78 GRN (1.00) GRNSORT1CCKBRGPR132CTSL

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 2868/4885CCKBR 2310/4885
US-20110178087-A1 Compositions and Their Use as Anti-Tumor Agents TP53, VHL, RB1 GRN 1317/4885SORT1 2868/4885CCKBR 2310/4885
US-20090018145-A1 Compositions and their use as anti-tumor agents TP53, VHL, RB1 GRN 1364/4885SORT1 3091/4885CCKBR 2134/4885

“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.