SCHEMBL966787

SCHEMBL966787

CCCCSSCC(C)C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
LMNA P02545 2/20 0.32
GMNN O75496 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL8943994 0.83
SCHEMBL11193512 0.80 TSHR (0.46) TSHRLMNASMN1; SMN2TDP1NOS3
SCHEMBL223886 0.80 TSHR (0.46) TSHRLMNASMN1; SMN2TDP1NOS3
Ammonia Solution, Strong SCHEMBL28130901 0.76 TSHR (0.43) TSHRLMNASMN1; SMN2TDP1NOS3
SCHEMBL28776185 0.76 TSHR (0.43) TSHRLMNASMN1; SMN2TDP1NOS3
Water SCHEMBL28084836 0.76 TSHR (0.43) TSHRLMNASMN1; SMN2TDP1NOS3
SCHEMBL10941694 0.76 TSHR (0.43) TSHRLMNASMN1; SMN2TDP1NOS3
SCHEMBL3476016 0.76 TSHR (0.43) TSHRLMNASMN1; SMN2TDP1NOS3
SCHEMBL10947396 0.76 TSHR (0.43) TSHRLMNAGMNNMAPTSMN1; SMN2
SCHEMBL28275329 0.76 TSHR (0.43) TSHRLMNASMN1; SMN2TDP1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2578598-B1 Componds derived from normuramyldipeptide IMUTHES LTD (GB) 2015-04-15 EP disclosed
US-8653049-B2 Normuramyl glycopeptide compounds IMUTHES LIMITED (GB) 2014-02-18 US disclosed
EP-2578598-A1 Componds derived from normuramyldipeptide IMUTHES LIMITED (GB) 2013-04-10 EP disclosed
EP-2271661-A2 COMPOUNDS DERIVED FROM MURAMYLDIPEPTIDE IMUTHES LIMITED (GB) 2011-01-12 EP disclosed
US-20110002983-A1 COMPOUND IMUTHES LIMITED (GB) 2011-01-06 US disclosed
WO-2009115782-A2 COMPOUND IMUTHES LIMITED (GB) 2009-09-24 WO disclosed
EP-0376747-B1 Methacrylimide-containing polymer and resin composition containing said polymer MITSUBISHI RAYON CO (JP) 1995-02-08 EP disclosed
EP-0376747-A2 Methacrylimide-containing polymer and resin composition containing said polymer MITSUBISHI RAYON CO., LTD. (JP) 1990-07-04 EP 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-20110002983-A1 COMPOUND C5AR1, C5AR2, ARG1 TSHR 1496/4885CYP3A4 2931/4885CYP2D6 2714/4885

“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.