SCHEMBL4480078

SCHEMBL4480078

COc1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2C2(c3ccc(C#N)cc3)OC=CO2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 4/20 0.52
HSD17B10 Q99714 2/20 0.52
USP2 O75604 2/20 0.52
CASP1 P29466 2/20 0.48
TSHR P16473 1/20 0.48
CASP3 P42574 1/20 0.45
CASP7 P55210 1/20 0.45
CASP6 P55212 1/20 0.45
EGFR P00533 2/20 0.45
CCR6 P51684 2/20 0.44
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL4466142 0.81 RAB9A (0.49) ALDH1A1USP2TSHRHPGDPOLB
SCHEMBL4480074 0.80 KDM4E (0.53) ALDH1A1KDM4EHSD17B10USP2CASP1
SCHEMBL16502896 0.69 ALDH1A1 (0.91) ALDH1A1KDM4EHSD17B10USP2CASP1
SCHEMBL5338240 0.69 POLB (0.67) ALDH1A1POLBGAAPKMSMN1; SMN2
SCHEMBL16986712 0.67 ALDH1A1 (0.54) ALDH1A1USP2MAPTGAASMN1; SMN2
SCHEMBL14256895 0.67 KDM4E (0.49) ALDH1A1KDM4EHSD17B10USP2CASP1
SCHEMBL29483517 0.66 LMNA (0.85) ALDH1A1KDM4EHSD17B10USP2CASP1
SCHEMBL12076667 0.65 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10USP2CASP1
SCHEMBL4465288 0.64 CNR1 (0.54) ALDH1A1KDM4EHSD17B10USP2CASP1
SCHEMBL10095466 0.64 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10USP2CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP claimed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US claimed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US claimed
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 ALDH1A1 607/4885KDM4E 1037/4885HSD17B10 348/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 ALDH1A1 299/4885KDM4E 1271/4885HSD17B10 307/4885

“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.