SCHEMBL3053102

SCHEMBL3053102

CCCS(=O)(=O)NC1CC(C(CC2CC2)NC(=O)c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 18/20 0.48
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4643554 0.80 KDM4E (0.48) SLC6A9NPC1RAB9APOLBTHRB
SCHEMBL4644071 0.80 KDM4E (0.48) SLC6A9NPC1RAB9APOLBTHRB
SCHEMBL3043124 0.80 KDM4E (0.48) SLC6A9NPC1RAB9APOLBTHRB
SCHEMBL3042565 0.78 SLC6A9 (0.58) SLC6A9
SCHEMBL3049316 0.76 NPC1 (0.48) SLC6A9NPC1RAB9APOLBTHRB
SCHEMBL3061380 0.75 NPC1 (0.47) SLC6A9NPC1RAB9APOLBTHRB
SCHEMBL4721249 0.75 SLC6A9 (0.56) SLC6A9NPC1RAB9A
SCHEMBL3052683 0.75 PSMB11 (0.38) SLC6A9
SCHEMBL13137865 0.74 SLC6A9 (0.72) SLC6A9
SCHEMBL3053101 0.74 SLC6A9 (0.72) SLC6A9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-09-02 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-20100222317-A1 Azetidine Derivatives as GlyT1 Inhibitors GRIA1, GLRA1, GRIN1 SLC6A9 18/4885NPC1 115/4885RAB9A 654/4885

“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.