SCHEMBL62309

SCHEMBL62309

CCOC(=O)c1nc([C@H]2CCC[C@@H](COS(C)(=O)=O)O2)n(S(C)(=O)=O)c(=O)c1OS(C)(=O)=O

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL1169588 0.69 ALDH1A1 (0.30)
SCHEMBL52302 0.62 OGFRL1 (0.35) OGFRL1OPRM1OPRD1OPRK1
SCHEMBL51517 0.62 F2 (0.35)
SCHEMBL1169867 0.61 L3MBTL1 (0.38)
SCHEMBL12778030 0.61 ALDH1A1 (0.35) OGFRL1OPRM1OPRD1OPRK1
SCHEMBL14064603 0.61 L3MBTL1 (0.39)
SCHEMBL1169753 0.59 L3MBTL1 (0.41)
SCHEMBL8708552 0.58 TRPA1 (0.32)
SCHEMBL63252 0.58 LMNA (0.37)
SCHEMBL8711480 0.58 ACHE (0.31)

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-8129398-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-06 US disclosed
US-20090253677-A1 HIV Integrase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-10-08 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-20090253677-A1 HIV Integrase Inhibitors DNTT, POLB, UNG OGFRL1 3981/4885OPRM1 3627/4885OPRD1 3039/4885

“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.