SCHEMBL6426012

SCHEMBL6426012

CC1(C)C(NC2=NC(=O)C(CC(=O)N3CCCCCC3)S2)C1(C)C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.36
HTT P42858 3/20 0.35
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 2/20 0.32
DPP4 P27487 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
RECQL P46063 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6430640 0.88 ALDH1A1 (0.40) TSHRALDH1A1HTTL3MBTL1NPSR1
SCHEMBL6428780 0.88 ALDH1A1 (0.38) TSHRALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL6427136 0.82 TSHR (0.49) TSHRALDH1A1HTTCYP2C19L3MBTL1
SCHEMBL6425891 0.82 TSHR (0.49) TSHRALDH1A1HTTCYP2C19L3MBTL1
SCHEMBL6502742 0.82 TSHR (0.49) TSHRALDH1A1HTTCYP2C19L3MBTL1
SCHEMBL6429260 0.82 TSHR (0.49) TSHRALDH1A1HTTCYP2C19L3MBTL1
SCHEMBL6501368 0.82 TSHR (0.49) TSHRALDH1A1HTTCYP2C19L3MBTL1
SCHEMBL6502963 0.81 DPP9 (0.37) TSHRALDH1A1HTTNPSR1MAPT
SCHEMBL6427850 0.76 TSHR (0.40) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL6502534 0.76 TSHR (0.45) TSHRALDH1A1HTTCYP2C19L3MBTL1

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 2078/4885ALDH1A1 67/4885HTT 3969/4885

“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.