SCHEMBL16983305

SCHEMBL16983305

NCCOCCOCCNC(=O)CCC(=O)Nc1nnc(S(N)(=O)=O)s1

nearest known ligand 0.91

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 19/20 0.91
▸ CA2 P00918 19/20 0.91
▸ CA9 Q16790 14/20 0.91
▸ CA4 P22748 13/20 0.91
▸ CA12 O43570 11/20 0.91
▸ CA14 Q9ULX7 11/20 0.91
▸ CA3 P07451 7/20 0.61
▸ CA6 P23280 7/20 0.61
▸ CA5A P35218 7/20 0.61
▸ CA7 P43166 7/20 0.61
▸ CA13 Q8N1Q1 7/20 0.61
▸ CA5B Q9Y2D0 7/20 0.61

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
SCHEMBL31485809 0.90 CA1 (0.89) CA1CA2CA9CA4CA12
SCHEMBL31485791 0.90 CA1 (0.89) CA1CA2CA9CA4CA12
SCHEMBL31485812 0.83 CA1 (0.76) CA1CA2CA9CA4CA12
SCHEMBL18470089 0.81 CA1 (0.60) CA1CA2CA9CA4CA12
SCHEMBL13740942 0.80 CA2 (1.00) CA1CA2CA9CA4CA12
SCHEMBL19359112 0.79 CA1 (0.83) CA1CA2CA9CA4CA12
SCHEMBL27344529 0.79 CA1 (0.70) CA1CA2CA9CA4CA12
SCHEMBL19359108 0.75 CA2 (0.97) CA1CA2CA9CA4CA12
SCHEMBL18475604 0.75 CA1 (0.76) CA1CA2CA9CA4CA12
SCHEMBL20792488 0.74 CA1 (0.72) CA1CA2CA9CA4CA12

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 19 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-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2023-11-30 — — US disclosed
EP-3928796-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenöessische Technische Hochschule Zurich (CH) 2021-12-29 — — EP disclosed
US-20210308269-A1 Small Molecule Drug Conjugates EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2021-10-07 — — US disclosed
EP-3730154-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2021-06-30 — — EP disclosed
EP-3730154-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2021-06-30 — — EP disclosed
EP-3424537-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2021-01-13 — — EP disclosed
EP-3424537-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2021-01-13 — — EP disclosed
EP-3730154-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenössiche Technische Hochschule Zürich (CH) 2020-10-28 — — EP disclosed
EP-3730154-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenössiche Technische Hochschule Zürich (CH) 2020-10-28 — — EP disclosed
EP-3102241-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2019-04-17 — — EP disclosed
EP-3102241-B1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZUERICH (CH) 2019-04-17 — — EP disclosed
EP-3424537-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenössiche Technische Hochschule Zürich (CH) 2019-01-09 — — EP disclosed
EP-3424537-A1 SMALL MOLECULE DRUG CONJUGATES Eidgenössiche Technische Hochschule Zürich (CH) 2019-01-09 — — EP 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
WO-2015114171-A1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2015-08-06 — — 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 (5 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 3/4885CA9 1/4885
US-20210308269-A1 Small Molecule Drug Conjugates CA9, CA12, CA2 CA1 10/4885CA2 3/4885CA9 1/4885
US-20170035892-A1 Small Molecule Drug Conjugates CA9, CA11, CA4 CA1 6/4885CA2 11/4885CA9 1/4885
US-10016511-B2 Small molecule drug conjugates CA9, CA12, CA2 CA1 10/4885CA2 3/4885CA9 1/4885
US-20170224831-A1 Small Molecule Drug Conjugates CA9, CA12, CA2 CA1 10/4885CA2 3/4885CA9 1/4885

“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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