SCHEMBL5717752

SCHEMBL5717752

NC(=O)CCSc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 4/20 0.42
FBP1 P09467 1/20 0.42
ALDH1A1 P00352 7/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MMP1 P03956 2/20 0.40
FCER2 P06734 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.39
HSD17B3 P37058 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL5717731 0.84 HPGD (0.47) NPC1RAB9AHPGDMAPTPOLB
SCHEMBL1520869 0.81 NPC1 (0.53) NPC1RAB9AHPGDMAPTPOLB
SCHEMBL11968951 0.78 NPC1 (0.40) NPC1RAB9AHPGDMAPTPOLB
SCHEMBL4339780 0.77 ALDH1A1 (0.56) NPC1RAB9AHPGDMAPTPOLB
SCHEMBL3867561 0.76 HPGD (0.53) NPC1RAB9AHPGDMAPTPOLB
SCHEMBL10363067 0.75 FBP1 (0.42) NPC1RAB9AHPGDMAPTPOLB
SCHEMBL1540065 0.75
SCHEMBL6278596 0.75 HPGD (0.55) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL5044518 0.72 HPGD (0.54) NPC1RAB9AHPGDMAPTPOLB
SCHEMBL6369341 0.72 FBP1 (0.46) NPC1RAB9AHPGDMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
US-20050215495-A1 Macrolide antibiotics ALIHODZIC SULEJMAN 2005-09-29 US disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 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 (3 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-20050215495-A1 Macrolide antibiotics IL1R1, MRPL12, RPS21 NPC1 122/4885RAB9A 1478/4885HPGD 2504/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 NPC1 122/4885RAB9A 1478/4885HPGD 2504/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 NPC1 86/4885RAB9A 1258/4885HPGD 2843/4885

“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.