SCHEMBL10243978

SCHEMBL10243978

COC(=O)NCCNC(C)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
EPHX2 P34913 2/20 0.46
CA12 O43570 11/20 0.45
CA1 P00915 11/20 0.45
CA2 P00918 11/20 0.45
CA9 Q16790 11/20 0.45
CA4 P22748 6/20 0.44
CA14 Q9ULX7 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL10243646 0.88 EPHX2 (0.41) EPHX2
SCHEMBL10244285 0.81 ESR1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL10243765 0.78 KMT2A (0.48) ALDH1A1GAA
SCHEMBL334879 0.78 ALDH1A1 (0.62) ALDH1A1EPHX2CA12CA1CA2
SCHEMBL10243724 0.78 KMT2A (0.44) ALDH1A1GAA
SCHEMBL10244323 0.75 SLC22A3 (0.51) GAA
SCHEMBL10244522 0.73 RRM1 (0.42) ALDH1A1
SCHEMBL10243815 0.73 KMT2A (0.41) ALDH1A1MAPK1
SCHEMBL10243841 0.73 ADRB2 (0.39) ALDH1A1CA12CA1CA2CA9
SCHEMBL10243752 0.72 POLB (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-8097708-B2 10a-Azalide compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-17 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
US-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 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 (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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ALDH1A1 1939/4885EPHX2 2656/4885CA12 2721/4885

“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.