SCHEMBL2237573

SCHEMBL2237573

CC(=O)OCC(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 4/20 0.48
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
ACP3 P15309 1/20 0.45
GRM8 O00222 3/20 0.44
GRM6 O15303 3/20 0.44
GRM4 Q14833 3/20 0.44

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
SCHEMBL27331108 0.85 ALDH1A1 (0.47) L3MBTL1MEN1HPGDKMT2AALDH1A1
SCHEMBL1935768 0.84 L3MBTL1 (0.60) L3MBTL1MEN1HPGDKMT2AALDH1A1
SCHEMBL27573413 0.81 KMT2A (0.60) L3MBTL1MEN1HPGDKMT2AALDH1A1
SCHEMBL27573412 0.81 KMT2A (0.60) L3MBTL1MEN1HPGDKMT2AALDH1A1
Acetic Acid SCHEMBL6905316 0.80 L3MBTL1 (0.59) L3MBTL1MEN1HPGDKMT2AALDH1A1
SCHEMBL2509178 0.79 L3MBTL1 (0.65) L3MBTL1MEN1HPGDKMT2AALDH1A1
SCHEMBL6898173 0.79 L3MBTL1 (0.65) L3MBTL1MEN1HPGDKMT2AALDH1A1
SCHEMBL15498195 0.79 L3MBTL1 (0.54) L3MBTL1MEN1HPGDKMT2AALDH1A1
SCHEMBL1983563 0.79 L3MBTL1 (0.64) L3MBTL1MEN1HPGDKMT2AALDH1A1
SCHEMBL2367944 0.79 L3MBTL1 (0.64) L3MBTL1MEN1HPGDKMT2AALDH1A1

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 10 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-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
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

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 L3MBTL1 2194/4885MEN1 4044/4885HPGD 3611/4885

“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.