SCHEMBL5288477

SCHEMBL5288477

COC(=O)CSc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
GLA P06280 1/20 0.58
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.50

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
SCHEMBL10884613 0.84 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2
SCHEMBL23612374 0.80 ALDH1A1 (0.64) ALDH1A1GLAMAPTSMN1; SMN2MEN1
SCHEMBL30061252 0.80 ALDH1A1 (0.64) ALDH1A1GLAMAPTSMN1; SMN2MEN1
SCHEMBL877985 0.80 FFAR1 (0.57) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15426812 0.79 MAPT (0.55) ALDH1A1GLAMAPTSMN1; SMN2KMT2A
SCHEMBL7224442 0.78 ALDH1A1 (0.52) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11212940 0.78 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11212945 0.78 SMN1; SMN2 (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8261330 0.78 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6239095 0.78 MAPT (0.54) ALDH1A1GLAMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3187488-B1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVE AND USE THEREOF CJ HEALTHCARE CORP (KR) 2020-02-19 EP disclosed
EP-3187488-B1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVE AND USE THEREOF CJ HEALTHCARE CORP (KR) 2020-02-19 EP disclosed
CN-107155325-B Novel amino-phenyl-sulfonyl-acetic ester derivative and application thereof CJ医药健康株式会社 2019-08-06 CN disclosed
US-20170247320-A1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVES AND USE THEREOF CJ HEALTHCARE CORPORATION (KR) 2017-08-31 US disclosed
US-20170247320-A1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVES AND USE THEREOF CJ HEALTHCARE CORPORATION (KR) 2017-08-31 US disclosed
US-20170247320-A1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVES AND USE THEREOF CJ HEALTHCARE CORPORATION (KR) 2017-08-31 US disclosed
EP-3187488-A1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVE AND USE THEREOF CJ Healthcare Corporation (KR) 2017-07-05 EP disclosed
EP-3187488-A1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVE AND USE THEREOF CJ Healthcare Corporation (KR) 2017-07-05 EP disclosed
WO-2016032120-A1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVE AND USE THEREOF 씨제이헬스케어 주식회사 2016-03-03 WO disclosed
CN-103228634-A Matrix metalloproteinase inhibitors RANBAXY LAB LTD 2013-07-31 CN disclosed
EP-1863804-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2007-12-12 EP disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 US disclosed
WO-2006102760-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2006-10-05 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 (2 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 781/4885GLA 372/4885MAPT 3848/4885
US-20170247320-A1 NOVEL AMINO-PHENYL-SULFONYL-ACETATE DERIVATIVES AND USE THEREOF SLC5A2, SLC5A1, IAPP ALDH1A1 2267/4885GLA 571/4885MAPT 2645/4885

“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.