SCHEMBL10246053

SCHEMBL10246053

COc1cc(C)c(S(=O)(=O)N(CCO)c2ccccc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KEAP1 Q14145 5/20 0.46
LMNA P02545 2/20 0.45
BMP1 P13497 1/20 0.45
CAMK2A Q9UQM7 2/20 0.42
NFE2L2 Q16236 3/20 0.42
CAMK2G Q13555 1/20 0.42
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
TP53 P04637 1/20 0.41
RORC P51449 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ESR1 P03372 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
SCHEMBL13658236 0.87 NR1I2 (0.48) TSHRMEN1KMT2AKEAP1LMNA
SCHEMBL700704 0.83 BDKRB1 (0.46) TSHRMEN1KMT2AKEAP1LMNA
SCHEMBL10246257 0.81 ALDH1A1 (0.47) TSHRMEN1KMT2AKEAP1LMNA
SCHEMBL4091783 0.80 TAS2R14 (0.48) TSHRBMP1TP53ALDH1A1
SCHEMBL13660738 0.78 BDKRB1 (0.45) TSHRMEN1KMT2ALMNABMP1
SCHEMBL10246062 0.78 BDKRB1 (0.45) TSHRMEN1KMT2ALMNABMP1
SCHEMBL571182 0.77 BDKRB1 (0.53)
SCHEMBL3995079 0.75 BDKRB1 (0.43) TSHRMEN1KMT2AALDH1A1
SCHEMBL3991616 0.75 BDKRB1 (0.43)
SCHEMBL1935571 0.75 MEN1 (0.44) TSHRMEN1KMT2AKEAP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 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
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
US-20090264400-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-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009124733-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-10-15 WO disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 US disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 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 (4 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 TSHR 239/4885MEN1 3536/4885KMT2A 3631/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 TSHR 3282/4885MEN1 2751/4885KMT2A 1309/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 TSHR 1805/4885MEN1 2629/4885KMT2A 3136/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 TSHR 1575/4885MEN1 2417/4885KMT2A 2533/4885

“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.