SCHEMBL4480450

SCHEMBL4480450

COC(=O)c1ccc(C(=O)N(NC(=O)OC(C)(C)C)c2ccccc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.43
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
PPARG P37231 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 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
SCHEMBL4481810 0.93 AKT1 (0.44) AKT1L3MBTL1ALDH1A1CTSLCTSB
SCHEMBL24716783 0.77 HPGD (0.43) AKT1NPSR1L3MBTL1HPGDTSHR
SCHEMBL10565579 0.76 AKT1 (0.49) AKT1L3MBTL1ALDH1A1CTSLCTSB
SCHEMBL4085418 0.76 TDP1 (0.51) AKT1L3MBTL1ALDH1A1CTSLCTSB
SCHEMBL6440783 0.73 SMN1; SMN2 (0.46) L3MBTL1HPGDALDH1A1LMNAMEN1
SCHEMBL277557 0.72 HPGD (0.46) NPSR1L3MBTL1HPGDTSHRMAPK1
SCHEMBL7362268 0.71 HPGD (0.44) NPSR1L3MBTL1HPGDTSHRMAPK1
SCHEMBL6455153 0.71 ALDH1A1 (0.50) NPSR1L3MBTL1HPGDTSHRMAPK1
SCHEMBL3791523 0.71 SMN1; SMN2 (0.47) NPSR1L3MBTL1HPGDTSHRMAPK1
SCHEMBL6492852 0.71 NPSR1 (0.47) NPSR1L3MBTL1HPGDTSHRMAPK1

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-7501451-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives FERTIG GEORG 2006-04-27 US disclosed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-08-19 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 (2 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-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 AKT1 4206/4885NPSR1 2218/4885L3MBTL1 1688/4885
US-20040162317-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC11, HDAC10 AKT1 2810/4885NPSR1 1336/4885L3MBTL1 1178/4885

“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.