SCHEMBL4362880

SCHEMBL4362880

CS(=O)(=O)O[C@H](CNC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
HTT P42858 1/20 0.47
SLC1A3 P43003 1/20 0.45
SLC1A1 P43005 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CTSK P43235 3/20 0.44
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL13618133 0.91 SYK (0.48) SYKLMNASMN1; SMN2CA12CA1
SCHEMBL22775253 0.84 SYK (0.55) SYKLMNASMN1; SMN2CA12CA1
SCHEMBL10402059 0.82 SYK (0.47) SYKLMNASMN1; SMN2CA12CA1
SCHEMBL10402060 0.82 SYK (0.47) SYKLMNASMN1; SMN2CA12CA1
SCHEMBL2141987 0.81 ALDH1A1 (0.53) SYKLMNASMN1; SMN2HTTSLC1A3
SCHEMBL2141982 0.81 ALDH1A1 (0.53) SYKLMNASMN1; SMN2HTTSLC1A3
SCHEMBL10403066 0.81 SYK (0.46) SYKLMNASMN1; SMN2CA12CA1
SCHEMBL10403064 0.81 KEAP1 (0.47) SYKLMNASMN1; SMN2CA12CA1
SCHEMBL220137 0.81 HTT (0.47) SYKLMNASMN1; SMN2CA12CA1
SCHEMBL4593136 0.81 HTT (0.47) SYKLMNASMN1; SMN2CA12CA1

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-20090286875-A1 ISOCYSTENE DERIVATIVES FOR THE TREATMENT OF PAIN PFIZER, INC. (US) 2009-11-19 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-20090286875-A1 ISOCYSTENE DERIVATIVES FOR THE TREATMENT OF PAIN IDH3A, ACHE, SDHA SYK 2689/4885LMNA 3329/4885SMN1; SMN2 1529/4885

“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.