SCHEMBL820638

SCHEMBL820638

C=C1OC(=O)C([C@H](O)CC(=O)O[C@H](C)[C@@H](OC)[C@H](O)CC(=O)[C@@H](C)C(O)CC[C@H](C)C[C@@H](C)CC/C=C(/C=C/C(=O)O)CC)=C1C

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPP2CA P67775 7/20 0.76
PPP5C P53041 2/20 0.55
ALDH1A1 P00352 1/20 0.55
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.55
PPP1CC P36873 1/20 0.55
PTPN11 Q06124 2/20 0.48
PTPA Q15257 3/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL15444941 0.94 PPP2CA (0.85) PPP2CAPPP5CALDH1A1THRBHPGD
SCHEMBL889296 0.92 PPP2CA (0.89) PPP2CAPPP5CALDH1A1THRBHPGD
SCHEMBL820202 0.91 PPP2CA (0.77) PPP2CAPPP5CALDH1A1THRBHPGD
SCHEMBL889288 0.87 PPP2CA (0.80) PPP2CAPPP5CALDH1A1THRBHPGD
SCHEMBL15381934 0.86 PPP2CA (1.00) PPP2CAPPP5CALDH1A1THRBHPGD
SCHEMBL15444943 0.85 PPP2CA (0.86) PPP2CAPPP5CALDH1A1THRBHPGD
SCHEMBL889307 0.83 PPP2CA (0.89) PPP2CAPPP5CALDH1A1THRBHPGD
SCHEMBL823120 0.83 PPP2CA (0.80) PPP2CAPPP5CALDH1A1THRBHPGD
SCHEMBL820205 0.83 PPP2CA (0.80) PPP2CAPPP5CALDH1A1THRBHPGD
SCHEMBL889227 0.82 PPP2CA (0.78) PPP2CAPPP5CALDH1A1THRBHPGD

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-20110281942-A1 Tautomycetin and Tautomycetin Analog Biosynthesis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-11-17 US disclosed
US-20110281942-A1 Tautomycetin and Tautomycetin Analog Biosynthesis WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2011-11-17 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-20110281942-A1 Tautomycetin and Tautomycetin Analog Biosynthesis PTPRJ, PPP5C, MTMR1 PPP2CA 20/4885PPP5C 2/4885ALDH1A1 2934/4885

“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.