SCHEMBL164841

SCHEMBL164841

CCC(C)NC(=O)c1csc([O])n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
MAPK1 P28482 2/20 0.43
STAT1 P42224 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 1/20 0.42
ALDH1A1 P00352 1/20 0.41
ERCC1 P07992 1/20 0.39
FEN1 P39748 1/20 0.39
ERCC4 Q92889 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
ABCB1 P08183 1/20 0.38

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
SCHEMBL163035 0.83 NPC1 (0.42) RAB9ASMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL159632 0.79 RAB9A (0.47) RAB9ASMN1; SMN2NPC1HSD17B10KMT2A
SCHEMBL163960 0.77 HIF1A (0.42) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C9
SCHEMBL162851 0.75 MEN1 (0.43) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL162579 0.74 HPGD (0.56) RAB9ANPC1L3MBTL1
SCHEMBL162465 0.74 GAA (0.52) RAB9ASMN1; SMN2NPC1TP53ALDH1A1
SCHEMBL18157898 0.73 MEN1 (0.56) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL163376 0.73 JAK2 (0.44) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL162786 0.72 MEN1 (0.43) RAB9ASMN1; SMN2NPC1TP53MAPK1
SCHEMBL15204281 0.72 RAB9A (0.47) RAB9ASMN1; SMN2NPC1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 RAB9A 3460/4885SMN1; SMN2 1/4885NPC1 1201/4885

“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.