SCHEMBL6006541

SCHEMBL6006541

S=CNCN1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
DUSP3 P51452 1/20 0.37
USP2 O75604 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KEAP1 Q14145 1/20 0.35
HSD17B10 Q99714 3/20 0.34
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
GLA P06280 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
ALDH2 P05091 1/20 0.32

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
SCHEMBL12652055 0.78 CA12 (0.50) HPGDDUSP3CA12CA1CA2
SCHEMBL6008504 0.78
SCHEMBL3721906 0.77 SMN1; SMN2 (0.39) USP2KDM4EALDH1A1SMN1; SMN2KEAP1
SCHEMBL6005146 0.76 HRH3 (0.35) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL10511161 0.76 GLA (0.39) USP2KDM4EALDH1A1SMN1; SMN2KEAP1
SCHEMBL3157433 0.75 HPGD (0.58) HPGDDUSP3CA12CA1CA2
SCHEMBL2627646 0.74 USP2 (0.34) HPGDDUSP3USP2CA12CA1
SCHEMBL4392228 0.72 USP2 (0.44) HPGDDUSP3USP2CA12CA1
SCHEMBL10508086 0.69
SCHEMBL22251461 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 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 (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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 HPGD 739/4885DUSP3 1178/4885USP2 3670/4885

“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.