SCHEMBL6720316

SCHEMBL6720316

CC(CO)n1c(=O)c(C(=O)O)c(O)c2cc(Cc3ccc(F)cc3)ncc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
FYN P06241 6/20 0.36
EGLN1 Q9GZT9 7/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRK5 P34947 1/20 0.34
NTRK1 P04629 1/20 0.33

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
SCHEMBL6720311 0.85 L3MBTL1 (0.39) CNR2L3MBTL1MEN1KMT2A
SCHEMBL6720315 0.81 L3MBTL1 (0.35) CNR2L3MBTL1FYNEGLN1MEN1
SCHEMBL6720306 0.77 ALDH1A1 (0.43) CNR2L3MBTL1MEN1KMT2A
SCHEMBL6720313 0.75 TRPC5 (0.35) CNR2L3MBTL1MEN1KMT2A
SCHEMBL6720314 0.74 CNR2 (0.43) CNR2L3MBTL1FYNEGLN1MEN1
SCHEMBL6720354 0.72 NQO1 (0.43) CNR2FYNGRK5
SCHEMBL6720318 0.70 L3MBTL1 (0.47) CNR2L3MBTL1MEN1KMT2A
SCHEMBL5545869 0.68 ALDH1A1 (0.42) CNR2L3MBTL1MEN1KMT2A
SCHEMBL6061578 0.67 L3MBTL1 (0.47) CNR2L3MBTL1MEN1KMT2A
SCHEMBL6720317 0.67 CNR2 (0.42) CNR2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 CNR2 4827/4885L3MBTL1 217/4885FYN 2845/4885

“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.