SCHEMBL515495

SCHEMBL515495

CSc1ccccc1COC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 3/20 0.46
CHRM2 P08172 1/20 0.45
SRC P12931 1/20 0.36
BACE1 P56817 1/20 0.34
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 3/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL13373467 0.86 ALDH1A1 (0.44) L3MBTL1ALDH1A1MAPTLMNACHRM2
SCHEMBL15739404 0.81 SRC (0.33) L3MBTL1ALDH1A1MAPTLMNASRC
SCHEMBL11406620 0.80 SRC (0.40) ALDH1A1LMNACHRM2SRCTDP1
SCHEMBL5542287 0.77 FFAR4 (0.52) L3MBTL1ALDH1A1SLC6A2HPGDHTT
SCHEMBL514990 0.76 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTLMNACHRM2
SCHEMBL5984182 0.76 SRC (0.42) L3MBTL1MAPTSRCSLC6A2SLC6A4
SCHEMBL133172 0.75 CDK4 (0.50) ALDH1A1LMNACHRM2SRCTSHR
SCHEMBL4441004 0.75 CHRM2 (0.49) L3MBTL1ALDH1A1MAPTLMNACHRM2
SCHEMBL514989 0.75 ALDH1A1 (0.46) L3MBTL1ALDH1A1MAPTLMNACHRM2
SCHEMBL515494 0.74 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTLMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
US-20170320826-A1 BIVALENT LINKERS AND CONJUGATES THEREOF ENDOCYTE INC (US) 2017-11-09 US disclosed
US-9782493-B2 Conjugates for treating diseases caused by PSMA expressing cells ENDOCYTE, INC. (US) 2017-10-10 US disclosed
US-20160361376-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS ENDOCYTE, INC. 2016-12-15 US disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP 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 (4 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-20160361376-A1 CONJUGATES FOR TREATING DISEASES CAUSED BY PSMA EXPRESSING CELLS FOLH1, KLK3, CD47 L3MBTL1 986/4885ALDH1A1 642/4885MAPT 143/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 L3MBTL1 1931/4885ALDH1A1 355/4885MAPT 4117/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 L3MBTL1 118/4885ALDH1A1 1574/4885MAPT 4824/4885
US-20170320826-A1 BIVALENT LINKERS AND CONJUGATES THEREOF PAICS, FOLR2, DCLRE1A L3MBTL1 1869/4885ALDH1A1 2328/4885MAPT 1682/4885

“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.