SCHEMBL5723965

SCHEMBL5723965

CS(=O)(=O)O[C@@H]1CCN(c2nc(C#N)cs2)C1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.36
JAK2 O60674 2/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
HRH3 Q9Y5N1 6/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PARP1 P09874 2/20 0.32
TNK1 Q13470 1/20 0.32
CTSS P25774 3/20 0.32
TBK1 Q9UHD2 1/20 0.32
MAPT P10636 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
SCHEMBL5724137 0.90 JAK2 (0.33) JAK3JAK2JAK1TYK2PARP1
SCHEMBL5724017 0.78 HRH3 (0.54) HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL5724229 0.78 HRH3 (0.54) HRH3RAB9ANPC1SMN1; SMN2
SCHEMBL5724292 0.74 OGA (0.44) HRH3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5723838 0.71 SMPD3 (0.37) JAK3JAK2JAK1TYK2HRH3
SCHEMBL5724437 0.70 JAK3 (0.35) JAK3JAK2JAK1TYK2NPC1
SCHEMBL1095382 0.70 HRH3 (0.44) HRH3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1095383 0.70 HRH3 (0.44) HRH3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL1095813 0.70 HRH3 (0.44) HRH3RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL5723644 0.70 HRH3 (0.59) HRH3RAB9ANPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1340757-B1 1-METHYLCARBAPENEM DERIVATIVES SANKYO CO (JP) 2006-10-11 EP disclosed
US-7001897-B2 1-methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2006-02-21 US disclosed
US-20040014962-A1 1-Methylcarbapenem derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-22 US disclosed
EP-1340757-A1 1-METHYLCARBAPENEM DERIVATIVES Sankyo Company, Limited (JP) 2003-09-03 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-20040014962-A1 1-Methylcarbapenem derivatives CD14, CPT1A, ACMSD JAK3 4388/4885JAK2 1829/4885JAK1 2110/4885

“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.