SCHEMBL2563596

SCHEMBL2563596

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NC(CN2CCOCC2)c2ccccc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
CCR5 P51681 1/20 0.39
RAB9A P51151 2/20 0.39
GPR88 Q9GZN0 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 2/20 0.37
KCNK3 O14649 3/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL2563624 0.94 RAB9A (0.41) ROCK2ROCK1LMNASMN1; SMN2MITF
SCHEMBL2567625 0.92 CCR5 (0.42) ROCK2ROCK1LMNASMN1; SMN2MITF
SCHEMBL2570967 0.90 CCR5 (0.42) ROCK2ROCK1LMNASMN1; SMN2MITF
SCHEMBL2567782 0.85 CCR5 (0.40) CCR5RAB9A
SCHEMBL2567469 0.85 OPRK1 (0.48) LMNAMAPTHTTSMN1; SMN2MITF
SCHEMBL14411636 0.84 RAB9A (0.42) CCR5RAB9A
SCHEMBL2572512 0.83 OPRK1 (0.49) SMN1; SMN2MAPK1TP53
SCHEMBL493699 0.82 ATM (0.37) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL493546 0.81 RAB9A (0.39) LMNAMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL2568274 0.80 TSHR (0.47)

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-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 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 ROCK2 4826/4885ROCK1 4867/4885LMNA 2964/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ROCK2 4826/4885ROCK1 4867/4885LMNA 2964/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 ROCK2 4826/4885ROCK1 4867/4885LMNA 2964/4885

“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.