SCHEMBL24894639

SCHEMBL24894639

Cc1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC2CO2)cc(I)c1Oc1ccc(OCC2CO2)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.40
▸ THRB P10828 2/20 0.40
▸ SCN9A Q15858 1/20 0.36
▸ KLK7 P49862 5/20 0.35
▸ ITGB3 P05106 1/20 0.35
▸ ITGA2B P08514 1/20 0.35
▸ TACR1 P25103 1/20 0.34
▸ KLK5 Q9Y337 3/20 0.34
▸ VDR P11473 1/20 0.34
▸ PCNA P12004 1/20 0.34
▸ CACNA1B Q00975 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6845200 0.96 PCNA (0.37) THRATHRBSCN9AKLK7ITGB3
SCHEMBL6845190 0.89 ITGB3 (0.44) THRATHRBSCN9AITGB3ITGA2B
SCHEMBL12584373 0.89 ITGB3 (0.44) THRATHRBSCN9AITGB3ITGA2B
SCHEMBL1526096 0.87 THRB (0.39) THRATHRBKLK7ITGB3ITGA2B
SCHEMBL24894635 0.87 PCNA (0.35) THRATHRBSCN9AKLK7TACR1
SCHEMBL8189234 0.79 THRB (0.44) THRATHRBKLK7ITGB3ITGA2B
SCHEMBL1526077 0.78 THRB (0.36) THRATHRBKLK7ITGB3ITGA2B
SCHEMBL16124515 0.76 KLK5 (0.43) THRATHRBSCN9AITGB3ITGA2B
SCHEMBL17612212 0.76 ITGB3 (0.43) THRATHRBSCN9AITGB3ITGA2B
SCHEMBL13949735 0.74 THRB (0.41) THRATHRBPCNAALDH1A1MAPT

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 1 patent. 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

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-20230018014-A1 NOVEL COMPOUNDS AND FORMULATIONS TNNI3, TNNT2, TNNC1 THRA 51/4885THRB 15/4885SCN9A 2639/4885

“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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