SCHEMBL4512473

SCHEMBL4512473

CS(=O)(=O)OCCCc1ccc(OCCCC2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.53
NFE2L2 Q16236 1/20 0.45
HPGD P15428 2/20 0.45
ITGB3 P05106 2/20 0.43
ITGA2B P08514 2/20 0.43
GRM2 Q14416 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
PTGES O14684 1/20 0.41

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
SCHEMBL2766649 0.81 KDM4E (0.52) HRH3
SCHEMBL5206609 0.80 HRH3 (0.53) HRH3NFE2L2HPGDITGB3ITGA2B
SCHEMBL10744094 0.80 HRH3 (0.58) HRH3NFE2L2ITGB3ITGA2B
SCHEMBL6620386 0.80 CA12 (0.50)
SCHEMBL2766625 0.79 ALDH1A1 (0.54)
SCHEMBL4508929 0.79 HRH3 (0.60) HRH3NFE2L2HPGDITGB3ITGA2B
SCHEMBL4514398 0.79 HRH3 (0.60) HRH3NFE2L2HPGDITGB3ITGA2B
SCHEMBL6619977 0.78 LMNA (0.53)
SCHEMBL16395088 0.78 FFAR4 (0.41) HRH3
SCHEMBL6616437 0.77 NQO1 (0.45)

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-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-7498460-B2 Isophthalic acid derivatives BAYER HEALTHCARE AG (DE) 2009-03-03 US disclosed
US-20060154912-A1 Isophtalic acid derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-13 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-20060154912-A1 Isophtalic acid derivatives VHL, FABP3, CPT1A HRH3 1425/4885NFE2L2 107/4885HPGD 63/4885

“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.