SCHEMBL2429918

SCHEMBL2429918

CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)Nc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 9/20 0.58
PTPRB P23467 1/20 0.42
USP30 Q70CQ3 5/20 0.40
GPR119 Q8TDV5 2/20 0.38
UCHL1 P09936 1/20 0.37
ENPP2 Q13822 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL2429919 1.00 CASR (0.58) CASRPTPRBUSP30GPR119UCHL1
SCHEMBL4218285 0.91 CASR (0.59) CASRPTPRBUSP30GPR119UCHL1
SCHEMBL4218279 0.91 CASR (0.59) CASRPTPRBUSP30GPR119UCHL1
SCHEMBL14189779 0.87 CASR (0.61) CASRHDAC3HDAC1HDAC2HDAC8
SCHEMBL3676007 0.85 CASR (0.65) CASRPTPRBUSP30GPR119ENPP2
SCHEMBL2429936 0.85 CASR (0.61) CASRHDAC1HDAC2LMNA
SCHEMBL2429940 0.85 CASR (0.61) CASRHDAC1HDAC2LMNA
SCHEMBL2432965 0.84 CASR (0.64) CASRHDAC1HDAC2LMNA
SCHEMBL4041031 0.83 CASR (0.65) CASRPTPRB
SCHEMBL2427869 0.81 CASR (0.72) CASRLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366698-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor Galapagos SAS (FR) 2011-09-21 EP disclosed
US-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor GALAPAGOS SAS (FR) 2008-05-29 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 (1 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-20080125424-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 CASR 2/4885PTPRB 3735/4885USP30 1960/4885

“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.