SCHEMBL13618133

SCHEMBL13618133

COC(=O)[C@@H](CNC(=O)OCc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 6/20 0.47
CA2 P00918 6/20 0.47
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
HTT P42858 1/20 0.46
ACHE P22303 3/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KYNU Q16719 1/20 0.43
CTSS P25774 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
SCHEMBL4362880 0.91 SYK (0.49) SYKLMNASMN1; SMN2CA1CA2
SCHEMBL2518451 0.85 LMNA (0.54) SYKLMNASMN1; SMN2HTTTRPM8
SCHEMBL2518455 0.85 LMNA (0.54) SYKLMNASMN1; SMN2HTTTRPM8
SCHEMBL22775253 0.83 SYK (0.55) SYKLMNASMN1; SMN2CA1CA2
SCHEMBL10402059 0.81 SYK (0.47) SYKLMNASMN1; SMN2CA1CA2
SCHEMBL10402060 0.81 SYK (0.47) SYKLMNASMN1; SMN2CA1CA2
SCHEMBL19520946 0.80 MMP2 (0.45) CA1CA2CA12CA9ALDH1A1
SCHEMBL19520948 0.80 MMP2 (0.45) CA1CA2CA12CA9ALDH1A1
SCHEMBL27304800 0.80 MMP2 (0.45) CA1CA2CA12CA9ALDH1A1
SCHEMBL10403066 0.80 SYK (0.46) SYKLMNASMN1; SMN2CA1CA2

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 2 patents. 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
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.