SCHEMBL775213

SCHEMBL775213

O=C(N[C@H](CC1CC1)C(=O)O)c1ccc(Cl)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 3/20 0.59
SORT1 Q99523 3/20 0.59
MAPK14 Q16539 3/20 0.51
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRM1 Q13255 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
AKT1 P31749 1/20 0.43

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
SCHEMBL14594658 0.95 GRN (0.61) GRNSORT1MAPK14CYP1A2CYP2C9
SCHEMBL775068 0.93 GRN (0.62) GRNSORT1MAPK14CA1CA2
SCHEMBL3219146 0.93 GRN (0.62) GRNSORT1MAPK14CA1CA2
SCHEMBL3218303 0.88 GRN (0.59) GRNSORT1MEN1KMT2ACA1
SCHEMBL3224555 0.88 GRN (0.61) GRNSORT1MAPK14CA1CA2
SCHEMBL3222613 0.85 GRN (0.51) GRNSORT1CHRNB2CHRNB4CHRNA3
SCHEMBL5792757 0.84 GRN (0.56) GRNSORT1MAPK14CA1CA2
SCHEMBL777310 0.84 GRN (0.56) GRNSORT1CTSSGPR132
SCHEMBL3218355 0.81 MAPK14 (0.74) MAPK14CYP2C9MEN1KMT2A
SCHEMBL775406 0.79 GRN (0.56) GRNSORT1CA1CA2CTSS

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 6 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

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.