SCHEMBL4880971

SCHEMBL4880971

CC(C)(C)C(=O)COC=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
VDR P11473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 1/20 0.30
AR P10275 1/20 0.30

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
SCHEMBL12680309 0.73 MAPK1 (0.42) MAPK1ALDH1A1HTTVDRSMN1; SMN2
SCHEMBL11749841 0.73 MAPK1 (0.42) MAPK1ALDH1A1HTTVDRSMN1; SMN2
SCHEMBL18470997 0.72 MAPK1 (0.33) MAPK1
SCHEMBL3363554 0.71 CYP2D6 (0.36) TDP1
SCHEMBL5496757 0.70
SCHEMBL4187798 0.70
SCHEMBL19295797 0.69
SCHEMBL5541116 0.69 MAPK1 (0.39) MAPK1ALDH1A1HTTVDRSMN1; SMN2
SCHEMBL18751670 0.69 CES2 (0.43) MAPK1ALDH1A1HTTVDRSMN1; SMN2
SCHEMBL5496754 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
US-20040157866-A1 Amide compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
EP-1383760-A1 BIARYLCARBOXAMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-28 EP disclosed
US-6645971-B1 Pollakiuria and urinary incontinence treatment; muscarinic receptor antagonists; anticholinergic, anticonvulsants, antiulcer, and antiasthmatics; Parkinson*s disease SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2003-11-11 US disclosed
WO-2002090347-A1 AMIDE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-14 WO disclosed
EP-1122253-A1 QUINAZOLINONE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-08-08 EP disclosed
EP-0022245-A2 Aminothiadiazolyl derivatives, process for their preparation, pharmaceutical compositions containing them;starting compounds and process for their preparation CIBA-GEIGY AG (CH) 1981-01-14 EP 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 MAPK1 1878/4885ALDH1A1 2899/4885HTT 4561/4885
US-20040157866-A1 Amide compounds APOB, NR1H2, NR1H3 MAPK1 1413/4885ALDH1A1 2901/4885HTT 2317/4885

“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.