SCHEMBL6845190

SCHEMBL6845190

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

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 9/20 0.39
▸ THRA P10827 6/20 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
SCHEMBL12584373 1.00 ITGB3 (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL6845200 0.93 PCNA (0.37) ITGB3ITGA2BTHRBTHRALMNA
SCHEMBL8189234 0.91 THRB (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL24894639 0.89 THRA (0.40) ITGB3ITGA2BPTPN1THRBTHRA
SCHEMBL17612212 0.86 ITGB3 (0.43) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL13949735 0.84 THRB (0.41) THRBTHRALMNAMEN1KMT2A
SCHEMBL24894635 0.83 PCNA (0.35) THRBTHRALMNAMEN1KMT2A
SCHEMBL1526096 0.83 THRB (0.39) ITGB3ITGA2BACETHRBTHRA
SCHEMBL12584374 0.82 ITGB3 (0.44) ITGB3ITGA2BACEPTPN1THRB
SCHEMBL16124513 0.82 ITGB3 (0.46) ITGB3ITGA2BACEPTPN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230018014-A1 NOVEL COMPOUNDS AND FORMULATIONS PRO-AL MEDICO-TECHNOLOGIES, INC. 2023-01-19 — — US disclosed
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
WO-2012170017-A1 NOVEL FORMULATIONS AVANT GARDE THERAPEUTICS INC. (US) 2012-12-13 — — WO 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 (3 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 ITGB3 322/4885ITGA2B 2220/4885ACE 562/4885
US-20230018014-A1 NOVEL COMPOUNDS AND FORMULATIONS TNNI3, TNNT2, TNNC1 ITGB3 615/4885ITGA2B 2802/4885ACE 2160/4885
US-20130243868-A1 NOVEL FORMULATIONS TNNI3, TNNT2, TNNC1 ITGB3 322/4885ITGA2B 2220/4885ACE 562/4885

“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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