SCHEMBL18475604

SCHEMBL18475604

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

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 19/20 0.76
▸ CA2 P00918 19/20 0.76
▸ CA9 Q16790 16/20 0.76
▸ CA4 P22748 15/20 0.76
▸ CA12 O43570 12/20 0.76
▸ CA3 P07451 12/20 0.76
▸ CA6 P23280 12/20 0.76
▸ CA5A P35218 12/20 0.76
▸ CA7 P43166 12/20 0.76
▸ CA13 Q8N1Q1 12/20 0.76
▸ CA14 Q9ULX7 12/20 0.76
▸ CA5B Q9Y2D0 12/20 0.76
▸ MEN1 O00255 1/20 0.68
▸ CA11 O75493 1/20 0.68
▸ THRB P10828 1/20 0.68
▸ BLM P54132 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ TDP1 Q9NUW8 1/20 0.68

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
SCHEMBL308753 0.87 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL18476520 0.87 CA1 (0.78) CA1CA2CA9CA4CA12
SCHEMBL16975090 0.87 CA2 (1.00) CA1CA2CA9CA4CA12
SCHEMBL13740942 0.85 CA2 (1.00) CA1CA2CA9CA4CA12
Propazolamide SCHEMBL1817525 0.83 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL22118542 0.82 CA1 (0.80) CA1CA2CA9CA4CA12
SCHEMBL3793947 0.81 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL9674316 0.81 CA1 (0.74) CA1CA2CA9CA4CA12
Acetazolamide SCHEMBL2557036 0.81 CA1 (1.00) CA1CA2CA9CA4CA12
Acetazolamide SCHEMBL23219 0.81 CA1 (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024105197-A1 SMALL MOLECULE-DRUG-CONJUGATES CLEAVABLE IN A TUMOR MICROENVIRONMENT VINCERX PHARMA GMBH (DE) 2024-05-23 — — WO disclosed
US-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2023-11-30 — — US disclosed
US-20210308269-A1 Small Molecule Drug Conjugates EIDGENOESSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2021-10-07 — — US disclosed
US-10016511-B2 Small molecule drug conjugates ETH ZURICH (CH) 2018-07-10 — — 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-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 (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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