SCHEMBL3304729

SCHEMBL3304729

CS(=O)(=O)NCCCCN[C]=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.39
GRIA1 P42261 3/20 0.37
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PPARA Q07869 2/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MAPT P10636 2/20 0.32
EPHX1 P07099 1/20 0.31
ALOX15 P16050 1/20 0.31
NPY5R Q15761 2/20 0.31

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
SCHEMBL3305672 0.95 ALDH1A1 (0.43) POLBALDH1A1GRIA1CA1CA2
SCHEMBL3307429 0.86 POLB (0.35) POLBALDH1A1MAPTALOX15
SCHEMBL12090531 0.83 POLB (0.52) POLBALDH1A1GRIA1CA1CA2
SCHEMBL14740061 0.80 GRIA1 (0.52) POLBALDH1A1GRIA1CA1CA2
SCHEMBL14739816 0.80 GRIA1 (0.52) POLBALDH1A1GRIA1CA1CA2
SCHEMBL14739515 0.80 GRIA1 (0.52) POLBALDH1A1GRIA1CA1CA2
SCHEMBL14739086 0.80 GRIA1 (0.52) POLBALDH1A1GRIA1CA1CA2
SCHEMBL14740248 0.80 GRIA1 (0.52) POLBALDH1A1GRIA1CA1CA2
SCHEMBL14739265 0.80 GRIA1 (0.52) POLBALDH1A1GRIA1CA1CA2
SCHEMBL15836237 0.80 GRIA1 (0.52) POLBALDH1A1GRIA1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 POLB 3697/4885ALDH1A1 469/4885GRIA1 3807/4885

“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.