SCHEMBL6845200

SCHEMBL6845200

CC(C)(C)OC(=O)N[C@@H](Cc1cc(I)c(Oc2ccc(OCC3CO3)c(I)c2)c(I)c1)C(=O)OCC1CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCNA P12004 4/20 0.37
▸ THRB P10828 6/20 0.36
▸ THRA P10827 4/20 0.36
▸ KLK7 P49862 3/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ KLK5 Q9Y337 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ F2 P00734 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35

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
SCHEMBL24894639 0.96 THRA (0.40) PCNATHRBTHRAKLK7ITGB3
SCHEMBL6845190 0.93 ITGB3 (0.44) PCNATHRBTHRAITGB3ITGA2B
SCHEMBL12584373 0.93 ITGB3 (0.44) PCNATHRBTHRAITGB3ITGA2B
SCHEMBL1526096 0.91 THRB (0.39) PCNATHRBTHRAKLK7ITGB3
SCHEMBL24894635 0.91 PCNA (0.35) PCNATHRBTHRAKLK7KLK5
SCHEMBL8189234 0.83 THRB (0.44) PCNATHRBTHRAKLK7ITGB3
SCHEMBL1526077 0.81 THRB (0.36) PCNATHRBTHRAKLK7ITGB3
SCHEMBL17612212 0.79 ITGB3 (0.43) PCNATHRBTHRAITGB3ITGA2B
SCHEMBL13949735 0.78 THRB (0.41) PCNATHRBTHRALMNAMEN1
SCHEMBL16124515 0.77 KLK5 (0.43) PCNATHRBTHRAITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9381255-B2 Formulations comprising T3 nanoparticles AVANT GARDE THERAPEUTICS AND TECHNOLOGIES LLC (US) 2016-07-05 — — US disclosed
US-9381255-B2 Formulations comprising T3 nanoparticles AVANT GARDE THERAPEUTICS AND TECHNOLOGIES LLC (US) 2016-07-05 — — US disclosed
US-20130243868-A1 NOVEL FORMULATIONS AVANT GARDE THERAPEUTICS AND TECHNOLOGIES LLC (US) 2013-09-19 — — US disclosed
US-20130243868-A1 NOVEL FORMULATIONS AVANT GARDE THERAPEUTICS AND TECHNOLOGIES LLC (US) 2013-09-19 — — US disclosed
US-8404281-B2 Formulations AVANT GARDE THERAPEUTICS & TECHNOLOGIES LLC (US) 2013-03-26 — — US disclosed
US-8404281-B2 Formulations AVANT GARDE THERAPEUTICS & TECHNOLOGIES LLC (US) 2013-03-26 — — US disclosed
US-20110142947-A1 NOVEL FORMULATIONS AVANT GARDE THERAPEUTICS AND TECHNOLOGIES LLC 2011-06-16 — — US disclosed
US-20110142947-A1 NOVEL FORMULATIONS AVANT GARDE THERAPEUTICS AND TECHNOLOGIES LLC 2011-06-16 — — 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-20110142947-A1 NOVEL FORMULATIONS TNNI3, TNNT2, TNNC1 PCNA 4885/4885THRB 47/4885THRA 21/4885
US-20130243868-A1 NOVEL FORMULATIONS TNNI3, TNNT2, TNNC1 PCNA 4885/4885THRB 47/4885THRA 21/4885

“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.

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