SCHEMBL6349073

SCHEMBL6349073

CC(C)C(CS(=O)(=O)N1CCc2cc(C3CCCCC3)ccc2C1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KDM2B Q8NHM5 1/20 0.36
▸ DRD3 P35462 1/20 0.35
▸ DDB1 Q16531 1/20 0.35
▸ CRBN Q96SW2 1/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ PDE4B Q07343 1/20 0.34
▸ S1PR1 P21453 3/20 0.34
▸ TRIM24 O15164 1/20 0.34
▸ NAMPT P43490 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 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
SCHEMBL6347663 0.87 HTR6 (0.42) ESR2ESR1HTR6HRH3KDM2B
SCHEMBL6346497 0.84 ESR1 (0.38) ESR2ESR1HTR6HRH3KDM2B
SCHEMBL6347674 0.81 ESR2 (0.38) ESR2ESR1DRD3S1PR1GPR119
SCHEMBL7237312 0.72 POLB (0.30) —
SCHEMBL7075452 0.70 HTR6 (0.39) ESR2ESR1HTR6HRH3KDM2B
SCHEMBL6786967 0.70 HDAC1 (0.37) —
SCHEMBL21326057 0.68 ESR2 (0.69) ESR2DDB1CRBNPDE4BNAMPT
SCHEMBL29587332 0.68 ESR2 (0.69) ESR2DDB1CRBNPDE4BNAMPT
SCHEMBL6788424 0.68 HDAC1 (0.47) DRD3
SCHEMBL6350523 0.68 ESR2 (0.43) ESR2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933306-B2 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LTD. (GB) 2005-08-23 — — US disclosed
US-20030092727-A1 Hydroxamic and carboxylic acid derivatives HANNAH DUNCAN ROBERT (GB) 2003-05-15 — — US disclosed
US-6506773-B2 For therapy of cancer; inflammation; an autoimmune, infectious or ocular disease; or age-related macular degeneration DARWIN DISCOVERY LTD. (GB) 2003-01-14 — — US disclosed
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives DARWIN DISCOVERY LIMITED (GB) 2002-02-21 — — 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-20030092727-A1 Hydroxamic and carboxylic acid derivatives UACA, HCAR2, HCAR1 ESR2 2659/4885ESR1 3492/4885HTR6 2341/4885
US-20020022635-A1 Hydroxamic and carboxylic acid derivatives HCAR1, HCAR2, HCAR3 ESR2 1980/4885ESR1 3199/4885HTR6 45/4885

“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.

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