SCHEMBL6407587

SCHEMBL6407587

O=C(O)CP(=O)(O)OC1[C@H](OP(=O)(O)CC(=O)O)CN(CCc2ccccc2)C[C@H]1OP(=O)(O)CC(=O)O.O=P(O)(CO)OC1[C@H](OP(=O)(O)CO)CN(CCc2ccccc2)C[C@H]1OP(=O)(O)CO

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
GBA1 P04062 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
HTR2A P28223 2/20 0.38
KCNH2 Q12809 2/20 0.38
HTR2C P28335 1/20 0.38
AGTR2 P50052 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL3082847 0.95 OPRM1 (0.46) OPRM1OPRD1GBA1SIGMAR1HTR2A
SCHEMBL3073767 0.93 GBA1 (0.45) OPRM1OPRD1GBA1SIGMAR1HTR2A
SCHEMBL3085645 0.79 PDPK1 (0.50) OPRM1OPRD1GBA1SIGMAR1HTR2A
SCHEMBL3075531 0.77 OPRM1 (0.44) OPRM1OPRD1GBA1SIGMAR1HTR2A
SCHEMBL7046732 0.66 PDPK1 (0.53) GBA1SIGMAR1
SCHEMBL27672080 0.66 S1PR5 (0.71) OPRM1OPRD1GBA1SIGMAR1HTR2A
SCHEMBL3063424 0.64 MEN1 (0.34) MEN1KMT2A
SCHEMBL9682520 0.64 GBA1 (0.62) OPRM1OPRD1GBA1SIGMAR1
SCHEMBL11227003 0.63 GBA1 (0.61) OPRM1OPRD1GBA1SIGMAR1
SCHEMBL7003079 0.63 SLC6A3 (0.61) GBA1SIGMAR1HTR2AKCNH2HTR2C

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-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS PERSTORP AB (SE) 2005-10-13 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-20050227946-A1 METHOD OF TREATING INFLAMMATORY, TISSUE REPAIR AND INFECTIOUS CONDITIONS TNF, TLR2, TPMT OPRM1 1212/4885OPRD1 1743/4885GBA1 2701/4885

“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.