SCHEMBL1471666

SCHEMBL1471666

CCN(CC)S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.78
LMNA P02545 6/20 0.78
HTT P42858 5/20 0.78
NPC1 O15118 1/20 0.78
RAB9A P51151 1/20 0.78
NR3C1 P04150 1/20 0.55
CA12 O43570 2/20 0.53
CA9 Q16790 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA13 Q8N1Q1 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
HSPB1 P04792 1/20 0.51
VCAM1 P19320 1/20 0.51

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
SCHEMBL7650160 0.90 HTT (0.66) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL1474346 0.88 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL11247493 0.84 ALDH1A1 (0.73) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL28031906 0.82 CA12 (0.69) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL10945587 0.82 LMNA (0.86) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL11182312 0.82 LMNA (1.00) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL11094431 0.80 LMNA (0.53) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL14228900 0.79 CA12 (0.62) SMN1; SMN2LMNAHTTRAB9ACA12
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.79 HSPB1 (0.76) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL7543999 0.79 HTT (0.51) SMN1; SMN2LMNAHTTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US claimed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 US claimed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO disclosed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 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 (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-20050009871-A1 Ubiquitin ligase inhibitors NEDD4, STUB1, UBE3A SMN1; SMN2 3336/4885LMNA 4028/4885HTT 524/4885

“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.