SCHEMBL1612804

SCHEMBL1612804

C=CC[C@H]1CC[C@@H](NC(=O)C=CC(C)OC(C)=O)[C@@H](C)O1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CLK1 P49759 1/20 0.31

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
SCHEMBL1612806 1.00 TAS1R3 (0.36) TAS1R3TAS1R1CLK1
SCHEMBL1612801 1.00 TAS1R3 (0.36) TAS1R3TAS1R1CLK1
SCHEMBL1613368 0.90 CLK1 (0.34) TAS1R3TAS1R1CLK1
SCHEMBL1613367 0.90 CLK1 (0.34) TAS1R3TAS1R1CLK1
SCHEMBL1613369 0.90 CLK1 (0.34) TAS1R3TAS1R1CLK1
SCHEMBL1615238 0.86 CLK1 (0.35) TAS1R3TAS1R1CLK1
SCHEMBL1615242 0.86 CLK1 (0.35) TAS1R3TAS1R1CLK1
SCHEMBL1615240 0.86 CLK1 (0.35) TAS1R3TAS1R1CLK1
SCHEMBL12714082 0.86 TAS1R3 (0.49) TAS1R3TAS1R1
SCHEMBL13906561 0.83 TAS1R3 (0.34) TAS1R3TAS1R1CLK1

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 TAS1R3 4191/4885TAS1R1 4097/4885CLK1 2651/4885
US-20110086909-A1 SYNTHESIS OF FR901464 AND ANALOGS WITH ANTITUMOR ACTIVITY RBM17, SF3B1, RTCB TAS1R3 4191/4885TAS1R1 4097/4885CLK1 2651/4885

“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.