SCHEMBL4468528

SCHEMBL4468528

COc1cc(F)c(S(=O)(=O)N2CCCCC2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
ALDH1A1 P00352 5/20 0.67
GAA P10253 2/20 0.67
NPBWR1 P48145 1/20 0.67
KDM4E B2RXH2 2/20 0.65
MCOLN3 Q8TDD5 3/20 0.58
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
POLB P06746 2/20 0.55
HPGD P15428 1/20 0.55
RAB9A P51151 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.54
LMNA P02545 1/20 0.52

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
SCHEMBL6025006 0.85 ALDH1A1 (0.63) TSHRALDH1A1KDM4EKMT2AMEN1
SCHEMBL28254881 0.80 TSHR (0.55) TSHRALDH1A1GAANPBWR1KDM4E
SCHEMBL11167261 0.79 TSHR (0.63) TSHRALDH1A1GAANPBWR1KDM4E
SCHEMBL4464439 0.79 TSHR (0.50) TSHRALDH1A1GAANPBWR1KDM4E
SCHEMBL17008468 0.75 TSHR (0.74) TSHRALDH1A1GAANPBWR1KDM4E
SCHEMBL29736855 0.75 TSHR (0.74) TSHRALDH1A1GAANPBWR1KDM4E
SCHEMBL6034809 0.75 KDM4E (0.47) TSHRALDH1A1GAANPBWR1KDM4E
SCHEMBL6035064 0.74 PKM (0.56) TSHRALDH1A1GAANPBWR1KDM4E
SCHEMBL29944324 0.74 KMT2A (0.74) TSHRALDH1A1GAANPBWR1KDM4E
SCHEMBL10570472 0.74 TSHR (0.89) TSHRALDH1A1GAANPBWR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
CN-100486973-C Novel benzodioxoles HOFFMANN LA ROCHE (CH) 2009-05-13 CN disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
CN-1671684-A New benzodioxoles HOFFMANN LA ROCHE (CH) 2005-09-21 CN 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 TSHR 1029/4885ALDH1A1 607/4885GAA 1684/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 TSHR 1171/4885ALDH1A1 299/4885GAA 1559/4885

“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.