SCHEMBL4041820

SCHEMBL4041820

CC(C)(C[CH]C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)c1cccnc1)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
CNR2 P34972 2/20 0.36
TSHR P16473 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
HCRTR2 O43614 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.33
HSD11B1 P28845 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4043173 0.87 MAPK1 (0.33) HPGDGAAALDH1A1MAPK1
SCHEMBL4044948 0.87 SMYD3 (0.38) TSHRSMYD3ALDH1A1
SCHEMBL4044075 0.85
SCHEMBL4038371 0.85 KDM4E (0.40) KDM4EHSD17B10HPGDTSHRSMYD3
SCHEMBL4039217 0.84 HSD17B10 (0.40) KDM4EHSD17B10HPGDTSHRSMYD3
SCHEMBL4039767 0.83 CTSK (0.37) SMYD3
SCHEMBL4044638 0.81 PAX8 (0.37) KDM4EALDH1A1
SCHEMBL6208666 0.81 KDM4E (0.39) KDM4EHSD17B10HPGDCNR2TSHR
SCHEMBL4046128 0.80 KDM4E (0.36) KDM4EHPGDTSHRALDH1A1ATM
SCHEMBL6209199 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US claimed
US-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-22 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2003-06-19 US claimed
US-8327467-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
EP-1860098-B1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-14 EP disclosed
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 US disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
EP-1463728-B1 FUSED CYCLIC MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP disclosed
US-7432267-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMAPNY (US) 2008-10-07 US disclosed
EP-1860098-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-28 EP disclosed
US-7001911-B2 Fused cyclic modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 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-20050282813-A1 Fused cyclic modulators of nuclear hormone receptor function NR2C2, NR0B2, NR0B1 KDM4E 2034/4885HSD17B10 887/4885HPGD 2242/4885
US-20030114420-A1 Fused cyclic modulators of nuclear hormone receptor function NCOA1, ESRRA, NR3C1 KDM4E 2439/4885HSD17B10 581/4885HPGD 452/4885
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP11, MMP3 KDM4E 2222/4885HSD17B10 1022/4885HPGD 643/4885

“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.