SCHEMBL2565172

SCHEMBL2565172

O=C(COCC1Cc2ccccc2CN1S(=O)(=O)c1ccccc1)Nc1cccc(N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.49
MMP3 P08254 2/20 0.49
ALDH1A1 P00352 6/20 0.44
GLA P06280 1/20 0.44
BRS3 P32247 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.41
PAX8 Q06710 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 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
SCHEMBL2570767 0.87 MAPT (0.42) MMP8MMP3ALDH1A1BRS3KDM4E
SCHEMBL2567253 0.76 MMP8 (0.40) MMP8MMP3MAPTLMNAPOLB
SCHEMBL3768324 0.75 MMP8 (0.48) MMP8MMP3POLB
SCHEMBL3768329 0.75 MMP8 (0.48) MMP8MMP3POLB
SCHEMBL2568313 0.71 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL5129412 0.69 MMP8 (0.56) MMP8MMP3ALDH1A1MAPTPOLB
SCHEMBL2566667 0.68 EPHX2 (0.40) MAPTLMNA
SCHEMBL3818398 0.68 TAS2R14 (0.58) MMP8MMP3ALDH1A1MAPTSMN1; SMN2
SCHEMBL5131064 0.68 TAS2R14 (0.58) MMP8MMP3ALDH1A1MAPTSMN1; SMN2
SCHEMBL2568805 0.68 ALDH1A1 (0.47) MMP8MMP3ALDH1A1KDM4EMAPT

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
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP claimed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US claimed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US claimed
US-8435978-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2013-05-07 US disclosed
EP-2383267-A1 Substituted sulfonamide derivatives Grünenthal GmbH (DE) 2011-11-02 EP disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 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 (3 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MMP8 2055/4885MMP3 3494/4885ALDH1A1 1535/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 MMP8 2055/4885MMP3 3494/4885ALDH1A1 1535/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 MMP8 2055/4885MMP3 3494/4885ALDH1A1 1535/4885

“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.