SCHEMBL18470089

SCHEMBL18470089

NCCOCCOCCNC(=O)CCC(=O)Nc1nnc(N[SH](=O)=O)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 12/20 0.60
▸ CA2 P00918 12/20 0.60
▸ CA4 P22748 10/20 0.60
▸ CA12 O43570 9/20 0.60
▸ CA9 Q16790 9/20 0.60
▸ CA14 Q9ULX7 9/20 0.60
▸ CA3 P07451 3/20 0.37
▸ CA6 P23280 3/20 0.37
▸ CA5A P35218 3/20 0.37
▸ CA7 P43166 3/20 0.37
▸ CA13 Q8N1Q1 3/20 0.37
▸ CA5B Q9Y2D0 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16983305 0.81 CA1 (0.91) CA1CA2CA4CA12CA9
SCHEMBL19172671 0.75 CA2 (0.49) CA1CA2CA4CA12CA9
SCHEMBL31485791 0.70 CA1 (0.89) CA1CA2CA4CA12CA9
SCHEMBL31485809 0.70 CA1 (0.89) CA1CA2CA4CA12CA9
SCHEMBL19594069 0.70 CA2 (0.44) CA1CA2CA4CA12CA9
SCHEMBL26430827 0.70 CA2 (0.44) CA1CA2CA4CA12CA9
SCHEMBL20904578 0.70 CA2 (0.44) CA1CA2CA4CA12CA9
SCHEMBL21415394 0.70 CA2 (0.44) CA1CA2CA4CA12CA9
SCHEMBL14197469 0.70 CA2 (0.44) CA1CA2CA4CA12CA9
SCHEMBL14575431 0.70 CA2 (0.44) CA1CA2CA4CA12CA9

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
US-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2023-11-30 — — US disclosed
US-10016511-B2 Small molecule drug conjugates ETH ZURICH (CH) 2018-07-10 — — US disclosed
US-9884122-B2 Small molecule drug conjugates ETH ZURICH (CH) 2018-02-06 — — US disclosed
US-20170224831-A1 Small Molecule Drug Conjugates ETH ZURICH (CH) 2017-08-10 — — US disclosed
US-20170035892-A1 Small Molecule Drug Conjugates ETH ZURICH (CH) 2017-02-09 — — 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 (4 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-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES CA9, CA12, CA2 CA1 10/4885CA2 3/4885CA4 4/4885
US-20170035892-A1 Small Molecule Drug Conjugates CA9, CA11, CA4 CA1 6/4885CA2 11/4885CA4 3/4885
US-10016511-B2 Small molecule drug conjugates CA9, CA12, CA2 CA1 10/4885CA2 3/4885CA4 4/4885
US-20170224831-A1 Small Molecule Drug Conjugates CA9, CA12, CA2 CA1 10/4885CA2 3/4885CA4 4/4885

“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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