SCHEMBL18986715

SCHEMBL18986715

CCCCCC(NS(=O)(=O)c1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 6/20 0.62
▸ CA9 Q16790 4/20 0.62
▸ CA12 O43570 2/20 0.62
▸ ALDH1A1 P00352 7/20 0.50
▸ TSHR P16473 2/20 0.50
▸ CA1 P00915 5/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALB P02768 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MMP2 P08253 2/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ PLAU P00749 1/20 0.47
▸ HPN P05981 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44

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
SCHEMBL3969093 0.88 CA2 (0.60) CA2CA9CA12ALDH1A1TSHR
SCHEMBL30887502 0.86 CA2 (0.60) CA2CA9CA12ALDH1A1TSHR
SCHEMBL10692687 0.81 CA2 (0.62) CA2CA9CA12ALDH1A1TSHR
SCHEMBL28659487 0.81 CA2 (0.55) CA2CA9CA12ALDH1A1TSHR
SCHEMBL14539177 0.79 CA2 (0.60) CA2CA9CA12ALDH1A1TSHR
SCHEMBL31014162 0.79 CA2 (0.56) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13966856 0.78 CA2 (0.51) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13941902 0.78 CA2 (0.51) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13941904 0.78 CA2 (0.51) CA2CA9CA12ALDH1A1TSHR
SCHEMBL13966628 0.78 CA2 (0.51) CA2CA9CA12ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3390344-B1 IMPROVED METHOD FOR SYNTHESISING PARTIALLY N-HYDROXYETHYLATED TERTIARY 1,6-HEXANEDIAMINES IFP ENERGIES NOW (FR) 2020-12-02 — — EP disclosed
US-10618866-B2 Method for synthesising partially N-hydroxyethylated tertiary 1,6-hexanediamines IFP Energies Nouvelles (FR) 2020-04-14 — — US disclosed
US-20190002392-A1 IMPROVED METHOD FOR SYNTHESISING PARTIALLY N-HYDROXYETHYLATED TERTIARY 1,6-HEXANEDIAMINES IFP Energies Nouvelles (FR) 2019-01-03 — — US disclosed
EP-3390344-A1 IMPROVED METHOD FOR SYNTHESISING PARTIALLY N-HYDROXYETHYLATED TERTIARY 1,6-HEXANEDIAMINES IFP Energies nouvelles (FR) 2018-10-24 — — EP disclosed
WO-2017102659-A1 IMPROVED METHOD FOR SYNTHESISING PARTIALLY N-HYDROXYETHYLATED TERTIARY 1,6-HEXANEDIAMINES IFP Energies Nouvelles (FR) 2017-06-22 — — WO 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 (2 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-20190002392-A1 IMPROVED METHOD FOR SYNTHESISING PARTIALLY N-HYDROXYETHYLATED TERTIARY 1,6-HEXANEDIAMINES BHMT2, DNMT1, DNMT3A CA2 4700/4885CA9 4184/4885CA12 4587/4885
US-10618866-B2 Method for synthesising partially N-hydroxyethylated tertiary 1,6-hexanediamines BHMT2, DNMT1, HNMT CA2 4732/4885CA9 4310/4885CA12 4574/4885

“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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