SCHEMBL21165392

SCHEMBL21165392

CC(=O)[C@@H](O)c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
BRD4 O60885 1/20 0.39
HPGD P15428 1/20 0.38
NOTUM Q6P988 3/20 0.38
TSHR P16473 1/20 0.38
AKR1B1 P15121 1/20 0.38
LMNA P02545 3/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP1 P29466 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14491194 0.80 ALDH1A1 (0.43) ALDH1A1BRD4HPGDNOTUMTSHR
SCHEMBL9279350 0.80 BRD4 (0.41) ALDH1A1BRD4HPGDTSHRMAPK1
SCHEMBL11040309 0.78 ALDH1A1 (0.41) ALDH1A1TSHRAKR1B1LMNACES2
SCHEMBL1043659 0.77 CASP1 (0.53) ALDH1A1CES2CES1CASP1
SCHEMBL30799810 0.77 CASP1 (0.53) ALDH1A1CES2CES1CASP1
SCHEMBL5179498 0.77 ALDH1A1 (0.40) ALDH1A1BRD4NOTUMTSHRAKR1B1
SCHEMBL1045194 0.77 CASP1 (0.53) ALDH1A1CES2CES1CASP1
SCHEMBL67881 0.77 ALDH1A1 (0.50) ALDH1A1HPGDTSHRAKR1B1LMNA
SCHEMBL13170115 0.74 CES2 (0.62) HPGDLMNACES2CES1MAPK1
SCHEMBL12907075 0.74 ACP3 (0.46) ALDH1A1BRD4HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10351519-B2 Sulfamate derivative compounds, processes for preparing them and their uses BIO-PHARM SOLUTIONS CO., LTD. (KR) 2019-07-16 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 (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-10351519-B2 Sulfamate derivative compounds, processes for preparing them and their uses STS, SULT2A1, SULT1A1 ALDH1A1 844/4885BRD4 2516/4885HPGD 930/4885

“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.