SCHEMBL12185010

SCHEMBL12185010

CC(C)CCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 17/20 0.70
▸ CA1 P00915 16/20 0.70
▸ CA2 P00918 16/20 0.70
▸ CA12 O43570 8/20 0.70
▸ CA14 Q9ULX7 4/20 0.70
▸ CA7 P43166 2/20 0.70
▸ ELF3 P78545 2/20 0.60
▸ MED23 Q9ULK4 2/20 0.60

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
SCHEMBL21186772 0.93 CA9 (0.65) CA9CA1CA2CA12CA14
SCHEMBL21391543 0.91 CA9 (0.69) CA9CA1CA2CA12CA14
SCHEMBL12185092 0.91 CA9 (0.73) CA9CA1CA2CA12CA14
SCHEMBL26211588 0.91 CA1 (0.64) CA9CA1CA2CA12CA14
SCHEMBL14032096 0.90 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL17793595 0.90 CA9 (0.72) CA9CA1CA2CA12CA14
SCHEMBL17049667 0.90 CA9 (0.74) CA9CA1CA2CA12CA14
SCHEMBL15910186 0.90 CA1 (0.68) CA9CA1CA2CA12CA14
SCHEMBL19426705 0.89 CA9 (0.71) CA9CA1CA2CA12CA14
SCHEMBL20622624 0.89 CA9 (0.75) CA9CA1CA2CA12CA14

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
EP-2975409-A1 ZANAMIVIR PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY AND DETERMINING OSELTAMIVIR SUSCEPTIBILITY OF INFLUENZA VIRUSES Academia Sinica (TW) 2016-01-20 — — EP disclosed
EP-2568976-B1 ZANAMIVIR PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY AND DETERMINING OSELTAMIVIR SUSCEPTIBILITY OF INFLUENZA VIRUSES ACADEMIA SINICA (TW) 2015-09-30 — — EP disclosed
WO-2014100615-A1 CHIMERIC ANTIGEN RECEPTOR-EXPRESSING T CELLS AS ANTI-CANCER THERAPEUTICS PURDUE RESEARCH FOUNDATION (US) 2014-06-26 — — WO disclosed
WO-2011143262-A2 ZANAMIVIR PHOSPHONATE CONGENERS WITH ANTI-INFLUENZA ACTIVITY AND DETERMINING OSELTAMIVIR SUSCEPTIBILITY OF INFLUENZA VIRUSES SINICA, ACADEMIA (TW) 2011-11-17 — — WO disclosed
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