SCHEMBL2774101

SCHEMBL2774101

O=[N+]([O-])c1ccccc1S(=O)(=O)NC1CCOCC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.79
MEN1 O00255 2/20 0.79
ALDH1A1 P00352 3/20 0.57
MAPT P10636 2/20 0.57
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP13 P45452 1/20 0.55
DRD2 P14416 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL30737179 0.91 KMT2A (0.88) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL2821240 0.91 KMT2A (0.88) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL15334448 0.88 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL34474241 0.88 KMT2A (0.94) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL12481279 0.88 KMT2A (0.94) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL14163384 0.87 KMT2A (0.97) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL18230060 0.85 MEN1 (0.74) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL13684627 0.84 MEN1 (0.77) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL4732064 0.84 KMT2A (0.77) KMT2AMEN1ALDH1A1MAPTCA1
SCHEMBL7468696 0.84 MEN1 (0.77) KMT2AMEN1ALDH1A1MAPTCA1

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
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 KMT2A 1236/4885MEN1 4542/4885ALDH1A1 1659/4885

“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.