Sugi Predict

Sugi Predict / Compounds / SCHEMBL2521569

SCHEMBL2521569

SCHEMBL2521569

C#CCN(CCCl)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ PTPN1 P18031 2/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP8 P22894 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HSD11B1 P28845 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP19A1 P11511 1/20 0.38
▸ PKM P14618 1/20 0.38

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
SCHEMBL30502822 0.93 KMT2A (0.44) KMT2AMEN1PTPN1CA1CA2
SCHEMBL2521370 0.93 KMT2A (0.44) KMT2AMEN1PTPN1CA1CA2
SCHEMBL2821245 0.88 KMT2A (0.54) KMT2AMEN1PTPN1CA1CA2
SCHEMBL25228512 0.79 SLC10A6 (0.43) KMT2AMEN1PTPN1CA1CA2
SCHEMBL30423391 0.77 MAOB (0.50) KMT2AMEN1ALDH1A1NPSR1POLB
SCHEMBL25168044 0.77 MAOB (0.50) KMT2AMEN1ALDH1A1NPSR1POLB
SCHEMBL27153596 0.77 KMT2A (0.46) KMT2AMEN1CA1CA2MMP1
SCHEMBL14458702 0.76 MEN1 (0.39) KMT2AMEN1PTPN1CA1CA2
SCHEMBL231935 0.74 VCAM1 (0.56) KMT2AMEN1PTPN1CA1CA2
SCHEMBL18920040 0.73 KMT2A (0.48) KMT2AMEN1PTPN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2015-06-25 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
US-8946223-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-02-03 — — US disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
WO-2011130163-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-20 — — WO disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — US disclosed
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-13 — — 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 (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-20150175614-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 KMT2A 50/4885MEN1 1840/4885PTPN1 2247/4885
US-20110251184-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 KMT2A 50/4885MEN1 1840/4885PTPN1 2247/4885

“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.