SCHEMBL334879

SCHEMBL334879

CC(NCCN)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
CA1 P00915 9/20 0.45
CA2 P00918 9/20 0.45
CA9 Q16790 6/20 0.45
CA12 O43570 6/20 0.45
CA7 P43166 5/20 0.44
CA14 Q9ULX7 4/20 0.44
CA5A P35218 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 2/20 0.44
GAA P10253 1/20 0.43
EPHX2 P34913 2/20 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
SCHEMBL335323 0.87 ALDH1A1 (0.45) ALDH1A1EPHX2
SCHEMBL18575578 0.84 HTR1A (0.50) ALDH1A1
SCHEMBL10243978 0.78 ALDH1A1 (0.51) ALDH1A1CA1CA2CA9CA12
SCHEMBL8285878 0.77 ALDH1A1 (1.00) ALDH1A1CA1CA2CA9CA12
SCHEMBL18575438 0.77 SMN1; SMN2 (0.47) ALDH1A1
SCHEMBL334198 0.75 LOXL2 (0.44) ALDH1A1MAPK1
SCHEMBL335144 0.75 ESR1 (0.45) ALDH1A1
SCHEMBL1132349 0.74 CYP3A4 (0.66) ALDH1A1
SCHEMBL4706959 0.74 CYP3A4 (0.66) ALDH1A1
SCHEMBL3927833 0.74 CYP3A4 (0.66) 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 3 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-20090281292-A1 10a-Azalide Compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2009-11-12 US disclosed
EP-1985620-A1 10a-AZALIDE COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-10-29 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-20090281292-A1 10a-Azalide Compound IL17A, AZI2, HDAC9 ALDH1A1 1939/4885CA1 3677/4885CA2 3065/4885

“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.