SCHEMBL6498258

SCHEMBL6498258

O=C1N=C(NC23CC4CC(CC2C4)C3)SC1CC(=O)N1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
DPP4 P27487 4/20 0.41
BPTF Q12830 1/20 0.39
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
HSD11B1 P28845 4/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.33
CNR2 P34972 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX2 P34913 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
S1PR2 O95136 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL6507760 1.00 TSHR (0.46) TSHRDPP4BPTFALDH1A1KMT2A
SCHEMBL6500416 0.88 EPHX2 (0.37) TSHRDPP4ALDH1A1KMT2AGAA
SCHEMBL6506039 0.83 MAPT (0.36) TSHRDPP4ALDH1A1KDM4ECNR2
SCHEMBL6500205 0.83 DPP9 (0.46) DPP4ALDH1A1HSD11B1CNR2
SCHEMBL6500702 0.82 TSHR (0.30) TSHR
SCHEMBL6510576 0.81 DPP4 (0.52) DPP4ALDH1A1KMT2AHSD11B1KDM4E
SCHEMBL6387572 0.77 ATM (0.35) ALDH1A1KMT2AHSD11B1KDM4EGAA
SCHEMBL6426012 0.74 TSHR (0.50) TSHRDPP4ALDH1A1KMT2AHPGD
SCHEMBL6429260 0.74 TSHR (0.49) TSHRALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL6425891 0.74 TSHR (0.49) TSHRALDH1A1KDM4EHPGDL3MBTL1

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-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

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 2078/4885DPP4 1365/4885BPTF 4185/4885

“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.