SCHEMBL5396358

SCHEMBL5396358

CC(=O)c1c(OS(=O)(=O)C(F)(F)F)ccc(Oc2c(C)cc([N+](=O)[O-])c3c2CCC3)c1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 1/20 0.38
ALDH1A1 P00352 8/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
THRB P10828 3/20 0.34
THRA P10827 2/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL5399574 0.91 ALDH3A1 (0.36) ALDH3A1ALDH1A1HPGDKDM4ETHRB
SCHEMBL5411246 0.86 ALDH1A1 (0.35) ALDH3A1ALDH1A1HPGDKDM4ETHRB
SCHEMBL5401717 0.79 CYP19A1 (0.45) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL5397656 0.79 MAPT (0.36) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL5402484 0.76 THRA (0.42) ALDH1A1HPGDTHRBTHRAGAA
SCHEMBL5397915 0.76 KMT2A (0.41) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL5396291 0.73 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ETHRBTHRA
SCHEMBL5401791 0.72 CYP19A1 (0.42) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL5396389 0.71 THRB (0.34) THRBTHRA
SCHEMBL5393844 0.70 CTSV (0.44) ALDH1A1KMT2AMAPTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7230031-B2 Thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-06-12 US disclosed
US-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 US disclosed
EP-1471049-A1 NOVEL THYROID HORMONE RECEPTOR LIGAND, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-10-27 EP 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-20050085541-A1 Novel thyroid hormone receptor ligand, medicinal compositions containing the same and use thereof TSHR, THRA, THRB ALDH3A1 2578/4885ALDH1A1 3008/4885HPGD 4327/4885

“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.