SCHEMBL12584374

SCHEMBL12584374

CNCC(O)COc1ccc(Oc2c(I)cc(CC(NC(=O)OC(C)(C)C)C(=O)O)cc2I)cc1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 2/20 0.44
▸ ITGA2B P08514 2/20 0.44
▸ ACE P12821 1/20 0.42
▸ PTPN1 P18031 3/20 0.41
▸ THRB P10828 8/20 0.39
▸ THRA P10827 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ PCNA P12004 3/20 0.39
▸ PPARG P37231 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39

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
SCHEMBL12642759 0.91 THRB (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL17612140 0.89 ITGB3 (0.43) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL13949734 0.84 THRB (0.41) THRBTHRALMNAMEN1KMT2A
SCHEMBL18557996 0.82 ABCB1 (0.36) ITGB3ITGA2BACEPTPN1LMNA
SCHEMBL19309257 0.82 ITGB3 (0.36) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL12584373 0.82 ITGB3 (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL6845190 0.82 ITGB3 (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL5177146 0.81 THRB (0.60) ITGB3ITGA2BACETHRBTHRA
SCHEMBL8205060 0.81 THRB (0.60) ITGB3ITGA2BACETHRBTHRA
SCHEMBL5177770 0.81 THRB (0.60) ITGB3ITGA2BACETHRBTHRA

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-20140314665-A1 NANOPARTICLE AND POLYMER FORMULATIONS FOR THYROID HORMONE ANALOGS, ANTAGONISTS, AND FORMULATIONS THEREOF NANOPHARMACEUTICALS LLC (US) 2014-10-23 — — US disclosed
US-8668926-B1 Nanoparticle and polymer formulations for thyroid hormone analogs, antagonists, and formulations thereof NANOPHARMACEUTICALS LLC 2014-03-11 — — US disclosed
US-20110142941-A1 Nanoparticle and Polymer Formulations for Thyroid Hormone Analogs, Antagonists, and Formulations and Uses Thereof NANOPHARMACEUTICALS LLC 2011-06-16 — — US disclosed
US-20110142941-A1 Nanoparticle and Polymer Formulations for Thyroid Hormone Analogs, Antagonists, and Formulations and Uses Thereof NANOPHARMACEUTICALS 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-20140314665-A1 NANOPARTICLE AND POLYMER FORMULATIONS FOR THYROID HORMONE ANALOGS, ANTAGONISTS, AND FORMULATIONS THEREOF TSHR, TRHR, THRA ITGB3 613/4885ITGA2B 1340/4885ACE 3272/4885
US-20110142941-A1 Nanoparticle and Polymer Formulations for Thyroid Hormone Analogs, Antagonists, and Formulations and Uses Thereof TSHR, THRA, TRHR ITGB3 667/4885ITGA2B 1490/4885ACE 3604/4885

“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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