SCHEMBL514703

SCHEMBL514703

[CH2]OC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.61
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 2/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 4/20 0.56
PKM P14618 1/20 0.56
POLB P06746 1/20 0.56
MEN1 O00255 3/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
CES2 O00748 1/20 0.53
SRD5A2 P31213 1/20 0.53
GSK3B P49841 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
KDM4E B2RXH2 1/20 0.50
MAPT P10636 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
SCHEMBL254773 0.83 CES1 (0.65) CES1CA1CA2TDP1ALDH1A1
SCHEMBL1436249 0.83 CES1 (0.65) CES1CA1CA2TDP1ALDH1A1
SCHEMBL248294 0.82 TSHR (0.64) CES1CA1CA2TDP1ALDH1A1
SCHEMBL514474 0.80 KMT2A (0.56) CES1CA1CA2TDP1ALDH1A1
SCHEMBL23037596 0.80 CES1 (0.61) CES1CA1CA2TDP1ALDH1A1
SCHEMBL11455797 0.80 CES1 (0.61) CES1CA1CA2TDP1ALDH1A1
SCHEMBL402230 0.80 TSHR (0.62) CES1CA1CA2TDP1ALDH1A1
SCHEMBL879403 0.80 ALDH1A1 (0.62) CES1CA1CA2TDP1ALDH1A1
SCHEMBL306161 0.80 POLB (0.81) CES1CA1CA2TDP1ALDH1A1
SCHEMBL27955099 0.80 CES1 (0.61) CES1CA1CA2TDP1ALDH1A1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP claimed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO claimed
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
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-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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
EP-0215124-B1 SILVER HALIDE PHOTOGRAPHIC PHOTO-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1991-09-04 EP disclosed
US-4996314-A 6-(disubstituted amino)carbapenem compounds SANRAKU INCORPORATED (JP) 1991-02-26 US disclosed
US-4925782-A Silver halide photographic light-sensitive element containing water soluble dye compounds FUJI PHOTO FILM CO., LTD. (JP) 1990-05-15 US disclosed
US-4879204-A HIGH CONTRAST FUJI PHOTO FILM CO., LTD. (JP) 1989-11-07 US disclosed
US-4812563-A ANTIBIOTICS SANRAKU INCORPORATED (JP) 1989-03-14 US disclosed
EP-0237027-A2 6-(Disubstituted amino) carbapenam compounds Sanraku Incorporated (JP) 1987-09-16 EP disclosed
EP-0215124-A1 SILVER HALIDE PHOTOGRAPHIC PHOTO-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1987-03-25 EP disclosed
EP-0105227-A1 Process for producing beta-lactam compounds, and intermediates useful for their production Sanraku Incorporated (JP) 1984-04-11 EP disclosed
EP-0040408-A1 Beta-lactam compounds and process for production thereof SANRAKU-OCEAN CO., LTD. (JP) 1981-11-25 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 (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-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 CES1 287/4885CA1 1364/4885CA2 200/4885

“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.