SCHEMBL7944932

SCHEMBL7944932

Bc1sc(CC)nc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 6/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 5/20 0.35
HSD17B10 Q99714 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HPGD P15428 3/20 0.35
PKM P14618 3/20 0.33
TSHR P16473 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
RAF1 P04049 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL22774740 0.81 L3MBTL1 (0.57) NPSR1L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL4852589 0.81 NPSR1 (0.47) NPSR1L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL7938433 0.80 NPC1 (0.34) NPSR1L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL8071199 0.77 ALDH1A1 (0.55) NPSR1L3MBTL1ALDH1A1CYP1A2KDM4E
SCHEMBL275767 0.77 NPSR1 (0.50) NPSR1L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL2632700 0.77 NPSR1 (0.50) NPSR1L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL12677142 0.76 L3MBTL1 (0.42) NPSR1L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL11917066 0.75 NPSR1 (0.48) NPSR1L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL7995302 0.70 NPSR1 (0.42) NPSR1L3MBTL1ALDH1A1KDM4EHSD17B10
SCHEMBL19762720 0.68 L3MBTL1 (0.48) L3MBTL1ALDH1A1KDM4EHSD17B10SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US disclosed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO disclosed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR NPSR1 12/4885L3MBTL1 3789/4885ALDH1A1 690/4885

“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.