SCHEMBL6427136

SCHEMBL6427136

O=C1N=C(NC2CCCCC2)SC1CC(=O)N1CCCCCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HTT P42858 2/20 0.38
EPHX2 P34913 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL6425891 1.00 TSHR (0.49) TSHRHTTEPHX2ALDH1A1HSD17B10
SCHEMBL6429260 1.00 TSHR (0.49) TSHRHTTEPHX2ALDH1A1HSD17B10
SCHEMBL6501368 1.00 TSHR (0.49) TSHRHTTEPHX2ALDH1A1HSD17B10
SCHEMBL6502742 1.00 TSHR (0.49) TSHRHTTEPHX2ALDH1A1HSD17B10
SCHEMBL6427850 0.90 TSHR (0.40) TSHREPHX2ALDH1A1HPGDSMN1; SMN2
SCHEMBL6429808 0.90 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL1605486 0.90 ALDH1A1 (0.43) TSHRALDH1A1SMN1; SMN2L3MBTL1POLB
SCHEMBL1605683 0.88 TSHR (0.38) TSHR
SCHEMBL14531543 0.87 TSHR (0.43) TSHRHTTALDH1A1CYP2C19NPC1
SCHEMBL6428788 0.84 MAPT (0.39) TSHRHTTALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
WO-2005075471-A2 THIAZOL-COMPOUNDS AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS BIOVITRUM AB (SE) 2005-08-18 WO 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 TSHR 2078/4885HTT 3969/4885EPHX2 641/4885

“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.