SCHEMBL2856007

SCHEMBL2856007

O=[N+]([O-])c1ccccc1S(=O)(=O)NCCOC1CCCCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP19A1 P11511 1/20 0.45
▸ NPY5R Q15761 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL3516930 0.94 KMT2A (0.49) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL6535061 0.81 KMT2A (0.60) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL38654855 0.76 KMT2A (0.67) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL4389696 0.74 KMT2A (0.71) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL30649118 0.74 KMT2A (0.71) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL2747531 0.74 KMT2A (0.64) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL2859141 0.73 ALDH1A1 (0.38) KMT2AMEN1ALDH1A1TSHR
SCHEMBL31382611 0.73 KMT2A (0.56) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL22437464 0.73 KMT2A (0.56) KMT2AMEN1ALDH1A1HTTCYP19A1
SCHEMBL5636629 0.72 KMT2A (0.64) KMT2AMEN1ALDH1A1HTTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 — — EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 — — US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 — — US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 — — US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 — — US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 — — 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 (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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P KMT2A 3681/4885MEN1 4773/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KMT2A 3681/4885MEN1 4773/4885ALDH1A1 2940/4885

“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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