SCHEMBL6429044

SCHEMBL6429044

O=C1N=C(NCC2CCCCC2)SC1CC(=O)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSS P25774 5/20 0.37
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6427044 0.91 TSHR (0.47) ALDH1A1TSHRKDM4EHSD17B10L3MBTL1
SCHEMBL6503596 0.91 TSHR (0.47) ALDH1A1TSHRKDM4EHSD17B10L3MBTL1
SCHEMBL6427385 0.91 TSHR (0.47) ALDH1A1TSHRKDM4EHSD17B10L3MBTL1
SCHEMBL6428790 0.87 HPGD (0.39) ALDH1A1TSHRKDM4EHSD17B10MAPT
SCHEMBL6429808 0.84 ALDH1A1 (0.43) ALDH1A1TSHRHIF1AKDM4EPKM
SCHEMBL1605486 0.84 ALDH1A1 (0.43) ALDH1A1TSHRHIF1AKDM4EPKM
SCHEMBL6426928 0.83 TSHR (0.34) ALDH1A1TSHR
SCHEMBL1605522 0.81 KDM4C (0.38) ALDH1A1TSHRKDM4EMAPTL3MBTL1
SCHEMBL6427594 0.81 TSHR (0.32) TSHRCTSS
SCHEMBL6428130 0.81 KMT2A (0.49) ALDH1A1HSD17B10TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US disclosed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 ALDH1A1 67/4885TSHR 2078/4885HIF1A 1192/4885

“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.