SCHEMBL16820901

SCHEMBL16820901

Cc1ccc(S(=O)(=O)CCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ KMT2A Q03164 6/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ LOX P28300 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ PLA2G2C Q5R387 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL31031278 0.87 LOX (0.38) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL17997014 0.86 ALDH1A1 (0.64) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL19695399 0.82 ALDH1A1 (0.60) ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A
SCHEMBL14845475 0.82 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP3A4CYP2C9ABCG2
SCHEMBL16898333 0.82 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP3A4CYP2C9ABCG2
SCHEMBL13497897 0.82 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP3A4CYP2C9ABCG2
SCHEMBL16898565 0.82 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP3A4CYP2C9ABCG2
SCHEMBL16898408 0.82 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP3A4CYP2C9ABCG2
SCHEMBL31395440 0.82 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP3A4CYP2C9ABCG2
SCHEMBL18858985 0.82 ALDH1A1 (0.42) ALDH1A1CYP2C19CYP3A4CYP2C9ABCG2

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-9539336-B2 Sialic acid derivatives BROSSMER REINHARD (DE) 2017-01-10 — — US disclosed
US-20150174262-A1 Sialic Acid Derivatives BROSSMER REINHARD (DE) 2015-06-25 — — 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-20150174262-A1 Sialic Acid Derivatives NEU1, SIGLEC9, SIGLEC7 ALDH1A1 414/4885CYP2C19 1647/4885CYP3A4 1963/4885

“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.

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