SCHEMBL2735985

SCHEMBL2735985

O=Cc1ccc(CO)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 2/20 0.47
ALDH1A1 P00352 9/20 0.45
ALDH3A1 P30838 1/20 0.45
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 2/20 0.42
PTGS2 P35354 1/20 0.42
P4HB P07237 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH5A1 P51649 3/20 0.37
ABAT P80404 3/20 0.37
AOX1 Q06278 1/20 0.35
TRIM24 O15164 1/20 0.35
HPGD P15428 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL4769958 0.84 ALDH1A3 (0.43) ALDH1A3ALDH1A1ALDH3A1RAB9AKDM4E
SCHEMBL30021376 0.82 ALDH1A3 (0.49) ALDH1A3ALDH1A1ALDH3A1RAB9AKDM4E
SCHEMBL14329287 0.82 ALDH1A3 (0.49) ALDH1A3ALDH1A1ALDH3A1RAB9AKDM4E
SCHEMBL2909366 0.82 ALDH1A3 (0.58) ALDH1A3ALDH1A1ALDH3A1RAB9AKDM4E
SCHEMBL2601956 0.81 KDM4E (0.46) ALDH1A1RAB9AKDM4EPTGS2NPC1
SCHEMBL22490053 0.80 ALDH1A3 (0.47) ALDH1A3ALDH1A1ALDH3A1RAB9AKDM4E
SCHEMBL28829387 0.78 ALDH1A3 (0.46) ALDH1A3ALDH1A1ALDH3A1RAB9AKDM4E
SCHEMBL5521189 0.78 KDM4E (0.59) ALDH1A1RAB9AKDM4EPTGS2TDP1
SCHEMBL11013337 0.77 ALDH1A3 (0.45) ALDH1A3ALDH1A1ALDH3A1RAB9AKDM4E
SCHEMBL14709469 0.76 ALDH1A1 (0.43) ALDH1A3ALDH1A1ALDH3A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020252679-A1 A NEW TYPE OF BENZOXABOROLE-BASED ANTI-PNEUMOCOCCAL COMPOUNDS TARGETING LEUCYL-TRNA SYNTHETASE SHANGHAI JIAO TONG UNIVERSITY (CN) 2020-12-24 WO disclosed
WO-2020252679-A1 A NEW TYPE OF BENZOXABOROLE-BASED ANTI-PNEUMOCOCCAL COMPOUNDS TARGETING LEUCYL-TRNA SYNTHETASE SHANGHAI JIAO TONG UNIVERSITY (CN) 2020-12-24 WO disclosed
US-8088768-B2 Protein kinase and phosphatase inhibitors THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2012-01-03 US disclosed
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade KINEX PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
US-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-02-03 US 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-20110028474-A1 PROTEIN KINASE AND PHOSPHATASE INHIBITORS PTPN5, PTPN2, PTPN4 ALDH1A3 4401/4885ALDH1A1 4474/4885ALDH3A1 3884/4885
US-20110136807-A1 Bicyclic compositions and methods for modulating a kinase cascade MAP3K20, MAP3K6, MAP3K2 ALDH1A3 4592/4885ALDH1A1 4720/4885ALDH3A1 4024/4885

“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.