SCHEMBL3381189

SCHEMBL3381189

NC(C(=O)O)C(Cl)CSCCl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.34
GLO1 Q04760 1/20 0.34
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
USP2 O75604 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
LMNA P02545 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 1/20 0.30

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
SCHEMBL3874518 0.75
SCHEMBL3381845 0.71 SLC7A5 (0.39) SLC7A5USP2SLCO1B1LMNASLC1A3
SCHEMBL583793 0.69 SMN1; SMN2 (0.46) SLC7A5USP2SLCO1B1LMNASLC1A3
SCHEMBL583792 0.69 SMN1; SMN2 (0.46) SLC7A5USP2SLCO1B1LMNASLC1A3
SCHEMBL10656950 0.65 GSR (0.48) ARG1ARG2SLC1A3SLC1A2SLC1A1
SCHEMBL10655128 0.65 GSR (0.48) ARG1ARG2SLC1A3SLC1A2SLC1A1
SCHEMBL3875730 0.64 SLC7A5 (0.46) SLC7A5USP2SLCO1B1SLC1A3SLC1A2
SCHEMBL8976692 0.63
SCHEMBL3875738 0.63
SCHEMBL3875735 0.62 SLC7A5 (0.39) SLC7A5USP2SLCO1B1LMNASLC1A3

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-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP claimed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US claimed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 WO claimed
CN-111698906-A Molecules having pesticidal utility, compositions and pest control methods related thereto 美国陶氏益农公司 2020-09-22 CN disclosed
WO-2010017405-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2010-02-11 WO disclosed
EP-2120555-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN Heller, Adam (US) 2009-11-25 EP disclosed
US-20080287866-A1 Methods and compositions for the treatment of pain HELLER ADAM 2008-11-20 US disclosed
WO-2008094664-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN HELLER ADAM (US) 2008-08-07 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-20080287866-A1 Methods and compositions for the treatment of pain ACHE, S100P, P2RX3 SLC7A5 4883/4885GLO1 2918/4885ARG1 2192/4885

“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.