SCHEMBL2236007

SCHEMBL2236007

N[C@H](CO)c1cccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
SCN9A Q15858 1/20 0.44
GBA1 P04062 2/20 0.44
HSD17B3 P37058 1/20 0.44
HSD17B2 P37059 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
AVPR2 P30518 1/20 0.43
GPR27 Q9NS67 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.43
KIT P10721 2/20 0.42
PHGDH O43175 1/20 0.42
POLB P06746 1/20 0.42
ALOX12 P18054 1/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 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
SCHEMBL2241472 1.00 MCL1 (0.45) MCL1SCN9AGBA1HSD17B3HSD17B2
SCHEMBL2234241 1.00 MCL1 (0.45) MCL1SCN9AGBA1HSD17B3HSD17B2
SCHEMBL20117809 0.90 PTGES2 (0.44) MCL1SCN9AGBA1HSD17B3HSD17B2
SCHEMBL20117530 0.90 L3MBTL1 (0.46) MCL1SCN9AHSD17B3HSD17B2PTGES2
SCHEMBL10093355 0.88 GBA1 (0.43) SCN9AGBA1HSD17B3HSD17B2PTGES2
SCHEMBL2241383 0.87 SCN9A (0.48) MCL1SCN9AGBA1PTGES2AVPR2
SCHEMBL2235893 0.86 AVPR2 (0.43) MCL1SCN9AHSD17B3HSD17B2PTGES2
SCHEMBL2238392 0.86 AVPR2 (0.43) MCL1SCN9AHSD17B3HSD17B2PTGES2
SCHEMBL2241347 0.86 AVPR2 (0.43) MCL1SCN9AHSD17B3HSD17B2PTGES2
SCHEMBL10093362 0.86 L3MBTL1 (0.46) MCL1SCN9AHSD17B3HSD17B2PTGES2

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 MCL1 407/4885SCN9A 4557/4885GBA1 525/4885

“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.