SCHEMBL6506039

SCHEMBL6506039

O=C(O)CC1SC(NC23CC4CC(CC2C4)C3)=NC1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.33
GLA P06280 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
DPP4 P27487 1/20 0.31
EPHX2 P34913 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL6507760 0.83 TSHR (0.46) KDM4ETSHRHTTCNR2DPP4
SCHEMBL6498258 0.83 TSHR (0.46) KDM4ETSHRHTTCNR2DPP4
SCHEMBL6500416 0.81 EPHX2 (0.37) TSHRDPP4EPHX2ALDH1A1
SCHEMBL6500205 0.80 DPP9 (0.46) CNR2DPP4ALDH1A1
SCHEMBL6387572 0.78 ATM (0.35) KDM4EALDH1A1
SCHEMBL6426530 0.77 P2RX7 (0.35) CNR1CNR2EPHX2
SCHEMBL6510576 0.76 DPP4 (0.52) MAPTKDM4EHTTCNR2DPP4
SCHEMBL6500702 0.76 TSHR (0.30) TSHR
SCHEMBL14532004 0.74 EPHX2 (0.32) CNR1CNR2EPHX2
SCHEMBL1386171 0.74 EPHX2 (0.32) CNR1CNR2EPHX2

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 disclosed
WO-2005033068-A1 SOMATOSTATIN RECEPTOR 1 AND/OR 4 SELECTIVE AGONISTS AND ANTAGONISTS OY JUVANTIA PHARMA LTD (FI) 2005-04-14 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 MAPT 3607/4885KDM4E 2824/4885TSHR 2078/4885

“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.