SCHEMBL701329

SCHEMBL701329

CCOC(=O)/C=C/C1(c2cccnc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.46
GPR119 Q8TDV5 4/20 0.45
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
CYP2C9 P11712 1/20 0.40
GBA1 P04062 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ATM Q13315 1/20 0.39
KDM1A O60341 1/20 0.39
POLB P06746 1/20 0.39
TACR1 P25103 1/20 0.38

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
SCHEMBL701330 1.00 NAMPT (0.46) NAMPTGPR119OPRD1OPRK1JAK2
SCHEMBL10282908 0.88 GPR119 (0.41) NAMPTGPR119OPRD1OPRK1JAK2
SCHEMBL6911073 0.88 TSHR (0.47) GPR119OPRD1OPRK1ALOX15TSHR
SCHEMBL702268 0.83 GPR119 (0.52) NAMPTGPR119OPRD1OPRK1JAK2
SCHEMBL703404 0.82 TP53 (0.46) OPRD1OPRK1JAK2JAK1ALOX15
SCHEMBL702437 0.82 LMNA (0.45) GPR119OPRD1OPRK1ALOX15TSHR
SCHEMBL703405 0.82 TP53 (0.46) OPRD1OPRK1JAK2JAK1ALOX15
SCHEMBL10247816 0.82 TP53 (0.46) OPRD1OPRK1JAK2JAK1ALOX15
SCHEMBL702438 0.82 LMNA (0.45) GPR119OPRD1OPRK1ALOX15TSHR
SCHEMBL702119 0.82 GPR119 (0.51) NAMPTGPR119OPRD1OPRK1GBA1

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
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
US-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 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 (1 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 NAMPT 2136/4885GPR119 98/4885OPRD1 28/4885

“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.