SCHEMBL6274486

SCHEMBL6274486

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.43
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA4 P22748 3/20 0.39
RAF1 P04049 2/20 0.39
MAP2K1 Q02750 2/20 0.39
STAT5B P51692 1/20 0.39
RCE1 Q9Y256 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LTB4R Q15722 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
SCHEMBL6272857 0.93 MEN1 (0.44) CRHBPCRHR2HDAC3HDAC1HDAC2
SCHEMBL6273559 0.92 PTPN2 (0.44) CRHBPCRHR2HDAC3HDAC1HDAC2
SCHEMBL6800832 0.91 HDAC1 (0.42) CRHBPCRHR2HDAC3HDAC1HDAC2
SCHEMBL6676717 0.85 FOLH1 (0.45) FOLH1CRHBPCRHR2CA12CA1
SCHEMBL6677302 0.82 LPAR1 (0.52)
SCHEMBL6677763 0.82 LPAR1 (0.47) HDAC3HDAC1HDAC2NCOR2L3MBTL1
SCHEMBL6274189 0.81 MEN1 (0.48) FOLH1CRHBPCRHR2CA12CA1
SCHEMBL6677468 0.81 FOLH1 (0.44) FOLH1RAF1MAP2K1KDM4EALDH1A1
SCHEMBL6802977 0.81 CA12 (0.46) HDAC3HDAC1HDAC2NCOR2CA12
SCHEMBL6804388 0.80 CA12 (0.43) CRHBPCRHR2HDAC3HDAC1HDAC2

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
WO-2005110981-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-11-24 WO disclosed
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 FOLH1 507/4885CRHBP 4179/4885CRHR2 2046/4885

“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.