SCHEMBL1614636

SCHEMBL1614636

COC(=O)/C=C/[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
HCRTR2 O43614 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
SCHEMBL1614635 1.00 SPHK1 (0.31) SPHK1KEAP1NFE2L2HCAR2HCRTR2
SCHEMBL1614640 1.00 SPHK1 (0.31) SPHK1KEAP1NFE2L2HCAR2HCRTR2
SCHEMBL1614637 1.00 SPHK1 (0.31) SPHK1KEAP1NFE2L2HCAR2HCRTR2
SCHEMBL12714079 0.86 SPHK1 (0.34) SPHK1HCAR2HCRTR2
SCHEMBL3956953 0.82 HCAR2 (0.34) KEAP1NFE2L2HCAR2
SCHEMBL26531951 0.81 SPHK1 (0.31) SPHK1
SCHEMBL25251925 0.81 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL17212829 0.81 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL6979809 0.81 SPHK1 (0.34) SPHK1HCRTR2
SCHEMBL12534240 0.81 SPHK1 (0.34) SPHK1HCRTR2

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-8309599-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-11-13 US disclosed
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-04-14 US disclosed
US-7825267-B2 Synthesis of FR901464 and analogs with antitumor activity UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-11-02 US disclosed
US-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY UNIVERSITY OF PITTSBURGH-- OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2008-04-24 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 (2 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-20080096879-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB SPHK1 1268/4885KEAP1 1584/4885NFE2L2 2828/4885
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB SPHK1 1268/4885KEAP1 1584/4885NFE2L2 2828/4885

“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.