SCHEMBL5630740

SCHEMBL5630740

CC1(CCO)SC(NC2CCCC2)=NC1=O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
SLC29A1 Q99808 2/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL1604553 0.99 NPSR1 (0.34) NPSR1KMT2ATDP1KDM4EPOLB
SCHEMBL5138688 0.86 HSD11B1 (0.42) NPSR1KMT2ATDP1
SCHEMBL5025303 0.86 HSD11B1 (0.42) NPSR1KMT2ATDP1
SCHEMBL1605949 0.86 HSD11B1 (0.42) NPSR1KMT2ATDP1
SCHEMBL5016418 0.83 HSD11B1 (0.40) NPSR1KMT2ATDP1
SCHEMBL1605628 0.83 HSD11B1 (0.40) NPSR1KMT2ATDP1
SCHEMBL5630610 0.83 HSD11B1 (0.40) NPSR1KMT2ATDP1
SCHEMBL5016864 0.83 HSD11B1 (0.40) NPSR1KMT2ATDP1
SCHEMBL5065069 0.83 HSD11B1 (0.40) NPSR1KMT2ATDP1
SCHEMBL1605987 0.82 NPSR1 (0.32) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2006-06-29 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-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 NPSR1 2386/4885KMT2A 3049/4885TDP1 706/4885

“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.