SCHEMBL2565982

SCHEMBL2565982

COc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2COCC(=O)N2CCC(CCN3CCCC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.45
ALDH1A1 P00352 4/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MMP1 P03956 5/20 0.42
MMP13 P45452 5/20 0.42
MMP9 P14780 4/20 0.42
ADAM17 P78536 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL3764019 1.00 TAS2R14 (0.45) TAS2R14ALDH1A1USP2LMNAGAA
SCHEMBL2565970 0.99 TAS2R14 (0.44) TAS2R14ALDH1A1USP2LMNAGAA
SCHEMBL2565850 0.88 BDKRB1 (0.47)
SCHEMBL3777252 0.88 BDKRB1 (0.47)
SCHEMBL2566153 0.87 PSEN1 (0.43) ALDH1A1LMNAPKMSMN1; SMN2NPC1
SCHEMBL15204015 0.86 BDKRB1 (0.48) TAS2R14ALDH1A1USP2LMNAGAA
Hydrochloric Acid SCHEMBL2566553 0.86 BDKRB1 (0.48) TAS2R14ALDH1A1USP2LMNAGAA
Hydrochloric Acid SCHEMBL3781288 0.86 BDKRB1 (0.48) TAS2R14ALDH1A1USP2LMNAGAA
SCHEMBL2566355 0.85 NPC1 (0.49) ALDH1A1HPGDMMP1MMP13MEN1
SCHEMBL2568001 0.84 ALDH1A1 (0.48) TAS2R14ALDH1A1USP2LMNAGAA

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-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP claimed
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
EP-2066659-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2013-08-28 EP disclosed
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 TAS2R14 463/4885ALDH1A1 1535/4885USP2 2278/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TAS2R14 463/4885ALDH1A1 1535/4885USP2 2278/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 TAS2R14 463/4885ALDH1A1 1535/4885USP2 2278/4885

“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.