SCHEMBL2236047

SCHEMBL2236047

CN(C)Cc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.59
HSD17B2 P37059 1/20 0.58
ITGA1 P56199 1/20 0.52
IKBKB O14920 1/20 0.51
CYP19A1 P11511 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PTGES O14684 1/20 0.50
LIMK2 P53671 5/20 0.49
LIMK1 P53667 2/20 0.49
AR P10275 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
NMT1 P30419 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
SCHEMBL2305394 0.87 HTR6 (0.75) HTR6ALDH1A1PTGESLIMK2LIMK1
SCHEMBL2235116 0.83 HTR6 (0.58) HTR6IKBKBCYP19A1ALDH1A1PTGES
SCHEMBL2889176 0.82 IKBKB (0.69) HTR6HSD17B2ITGA1IKBKBCYP19A1
SCHEMBL2235488 0.81 HTR6 (0.53) HTR6IKBKBALDH1A1PTGESLIMK2
SCHEMBL15232982 0.81 UCHL1 (0.58) HTR6HSD17B2ITGA1IKBKBCYP19A1
SCHEMBL13028569 0.80 HSD17B2 (0.63) HTR6HSD17B2ITGA1IKBKBCYP19A1
SCHEMBL10093361 0.78 HTR6 (0.50) HTR6IKBKBCYP19A1ALDH1A1PTGES
SCHEMBL13028493 0.78 IKBKB (0.64) HTR6HSD17B2ITGA1IKBKBCYP19A1
SCHEMBL2237501 0.78 CYP19A1 (0.53) HTR6IKBKBCYP19A1ALDH1A1PTGES
SCHEMBL2237620 0.78 LIMK2 (0.51) HTR6IKBKBCYP19A1PTGESLIMK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349990-B1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LTD (GB) 2018-05-02 EP disclosed
EP-2349990-B1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LTD (GB) 2018-05-02 EP disclosed
US-8207167-B2 Aryl-phenyl-sulfonamide-phenylene compounds and their use PIMCO 2664 LIMITED (GB) 2012-06-26 US disclosed
US-8207167-B2 Aryl-phenyl-sulfonamide-phenylene compounds and their use PIMCO 2664 LIMITED (GB) 2012-06-26 US disclosed
US-20110190302-A1 Aryl-Phenyl-Sulfonamide-Phenylene Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-08-04 US disclosed
US-20110190302-A1 Aryl-Phenyl-Sulfonamide-Phenylene Compounds and Their Use PIMCO 2664 LIMITED (GB) 2011-08-04 US disclosed
WO-2010032010-A1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LIMITED (GB) 2010-03-25 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-20110190302-A1 Aryl-Phenyl-Sulfonamide-Phenylene Compounds and Their Use SOST, PSAP, ARSA HTR6 4577/4885HSD17B2 2751/4885ITGA1 1791/4885

“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.