SCHEMBL10246054

SCHEMBL10246054

COc1cc(C)c(S(=O)(=O)Nc2ccccc2)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
LMNA P02545 3/20 0.67
TSHR P16473 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
HTT P42858 1/20 0.67
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
PGR P06401 3/20 0.50
GAA P10253 2/20 0.50
POLB P06746 2/20 0.50
GFER P55789 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
CYP19A1 P11511 1/20 0.50
HPGD P15428 1/20 0.49
PLAU P00749 1/20 0.48
ALOX12 P18054 1/20 0.48
CA1 P00915 1/20 0.47

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
SCHEMBL812919 0.83 TSHR (0.70) ALDH1A1LMNATSHRSMN1; SMN2MEN1
SCHEMBL16509566 0.80 NMT1 (0.62) ALDH1A1LMNATSHRSMN1; SMN2MEN1
SCHEMBL25749442 0.76 LMNA (0.70) ALDH1A1LMNATSHRSMN1; SMN2MEN1
SCHEMBL30230067 0.76 MAPK1 (0.56) ALDH1A1LMNATSHRSMN1; SMN2MEN1
SCHEMBL29031231 0.76 ALDH1A1 (0.89) ALDH1A1LMNATSHRSMN1; SMN2MEN1
SCHEMBL1935802 0.75 ALDH1A1 (0.51) ALDH1A1LMNATSHRSMN1; SMN2MEN1
SCHEMBL812663 0.75 PGR (0.82) ALDH1A1LMNATSHRSMN1; SMN2MEN1
SCHEMBL3758000 0.74 PGR (0.83) ALDH1A1LMNACA12CA9PGR
SCHEMBL2202903 0.74 CA12 (0.45) ALDH1A1LMNATSHRSMN1; SMN2MEN1
SCHEMBL8752452 0.73 PGR (0.67) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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 17 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-20090264407-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-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
WO-2009124746-A1 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 ALDH1A1 958/4885LMNA 2119/4885TSHR 239/4885
US-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 ALDH1A1 863/4885LMNA 2546/4885TSHR 3282/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 ALDH1A1 2173/4885LMNA 2606/4885TSHR 1805/4885
US-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 ALDH1A1 1956/4885LMNA 2572/4885TSHR 1575/4885

“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.