SCHEMBL17525892

SCHEMBL17525892

Cc1sc(-c2sc(-c3sc(-c4scc5c4OCCO5)c4c3OCCO4)c3c2OCCO3)c2c1OCCO2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.40
HTT P42858 3/20 0.37
HPGD P15428 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
TSHR P16473 2/20 0.33
CHEK1 O14757 3/20 0.33
CHEK2 O96017 3/20 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
SCHEMBL16081660 1.00 BAZ2B (0.40) BAZ2BHTTHPGDNCOA1NCOA3
SCHEMBL13377540 1.00 BAZ2B (0.40) BAZ2BHTTHPGDNCOA1NCOA3
SCHEMBL10819299 1.00 BAZ2B (0.40) BAZ2BHTTHPGDNCOA1NCOA3
SCHEMBL17525893 0.98 BAZ2B (0.41) BAZ2BHTTHPGDNCOA1NCOA3
SCHEMBL21386759 0.93 BAZ2B (0.38) BAZ2BHTTHPGDNCOA1NCOA3
SCHEMBL10313033 0.89 BAZ2B (0.42) BAZ2BHTTHPGDNCOA1NCOA3
SCHEMBL6370890 0.89 BAZ2B (0.42) BAZ2BHTTHPGDNCOA1NCOA3
SCHEMBL12395230 0.89 BAZ2B (0.42) BAZ2BHTTHPGDNCOA1NCOA3
SCHEMBL13917370 0.85 HTT (0.34) BAZ2BHTT
SCHEMBL13862842 0.82 HTT (0.32) BAZ2BHTTCHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976347-B1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (US) 2022-01-19 EP disclosed
US-9676806-B2 Metal-based thiophene photodynamic compounds and their use MCFARLAND SHERRI ANN (CA) 2017-06-13 US disclosed
US-20160229878-A1 METAL-BASED THIOPHENE PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (CA) 2016-08-11 US disclosed
US-9345769-B2 Metal-based thiophene photodynamic compounds and their use MCFARLAND SHERRI ANN (CA) 2016-05-24 US disclosed
US-20160039854-A1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE MCFARLAND SHERRI ANN (CA) 2016-02-11 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-20160229878-A1 METAL-BASED THIOPHENE PHOTODYNAMIC COMPOUNDS AND THEIR USE TP53, PPOX, HMBS BAZ2B 416/4885HTT 2502/4885HPGD 993/4885
US-20160039854-A1 METAL-BASED COORDINATION COMPLEXES AS PHOTODYNAMIC COMPOUNDS AND THEIR USE PIN1, PPIF, PPOX BAZ2B 206/4885HTT 2408/4885HPGD 1908/4885

“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.