SCHEMBL10101809

SCHEMBL10101809

C/C(=N\OCc1ccc2c(c1)=NCN=2)c1ccc(C)c(NS(=O)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
S1PR1 P21453 10/20 0.35
RAB9A P51151 1/20 0.34
S1PR3 Q99500 3/20 0.33
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
CYP2C9 P11712 2/20 0.32
TSHR P16473 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
SCHEMBL10101814 0.92 NPC1 (0.36) NPC1S1PR1RAB9AS1PR3PPARG
SCHEMBL10101819 0.83 PPARG (0.42) NPC1S1PR1RAB9AS1PR3PPARG
SCHEMBL10101793 0.81 NPC1 (0.37) NPC1S1PR1RAB9AS1PR3PPARG
SCHEMBL10101797 0.80 S1PR1 (0.37) NPC1S1PR1RAB9AS1PR3PPARG
SCHEMBL10101812 0.79 NPC1 (0.37) NPC1S1PR1RAB9AS1PR3PPARG
SCHEMBL10101816 0.79 S1PR1 (0.47) NPC1S1PR1RAB9AS1PR3PPARG
SCHEMBL10101807 0.78 NPC1 (0.38) NPC1S1PR1RAB9AS1PR3PPARG
SCHEMBL10101808 0.76 RAB9A (0.41) NPC1S1PR1RAB9AS1PR3PPARG
SCHEMBL10101815 0.75 L3MBTL1 (0.53) NPC1S1PR1RAB9APPARGPPARA
SCHEMBL10101805 0.74 S1PR1 (0.37) NPC1S1PR1RAB9AS1PR3PPARG

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-8536157-B2 Non-steroidal compounds THE UNIVERSITY OF MELBOURNE (AU) 2013-09-17 US disclosed
US-20120046255-A1 NON-STEROIDAL COMPOUNDS THE UNIVERSITY OF MELBOURNE of ROYAL PARADE PARKVILLE (AU) 2012-02-23 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-20120046255-A1 NON-STEROIDAL COMPOUNDS PTGES2, PTGES, PTGES3 NPC1 357/4885S1PR1 909/4885RAB9A 3908/4885

“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.