SCHEMBL2237474

SCHEMBL2237474

COC(=O)C(C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
ALOX5 P09917 1/20 0.52
PTPRC P08575 1/20 0.46
NR3C2 P08235 1/20 0.45
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
HTT P42858 3/20 0.41
POLB P06746 2/20 0.40
CYP2C19 P33261 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 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
SCHEMBL6681971 0.85 MAPT (0.56) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL7452116 0.82 PTPRC (0.45) MAPTSMN1; SMN2RAB9ANPC1PTPRC
SCHEMBL244443 0.81 MAPT (0.56) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL20117837 0.81 MAPT (0.50) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL14876703 0.81 MAPT (0.50) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL245177 0.81 MAPT (0.52) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL2237996 0.80 KCNN4 (0.37) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL6159649 0.79 NR3C2 (0.48) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL7664781 0.79 PTPRC (0.55) MAPTSMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL245779 0.79 MAPT (0.50) MAPTSMN1; SMN2RAB9ANPC1ALOX5

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 8 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
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
EP-2349990-A1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE Pimco 2664 Limited (GB) 2011-08-03 EP disclosed
WO-2010032010-A1 ARYL-PHENYL-SULFONAMIDE-PHENYLENE COMPOUNDS AND THEIR USE PIMCO 2664 LIMITED (GB) 2010-03-25 WO 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 MAPT 633/4885SMN1; SMN2 3712/4885RAB9A 2421/4885

“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.