SCHEMBL1716052

SCHEMBL1716052

NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccc2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CISD1 Q9NZ45 12/20 1.00
▸ CA12 O43570 9/20 0.80
▸ CA1 P00915 9/20 0.80
▸ CA2 P00918 9/20 0.80
▸ CA9 Q16790 9/20 0.80
▸ CA6 P23280 8/20 0.80
▸ CA7 P43166 8/20 0.80
▸ CA14 Q9ULX7 8/20 0.80
▸ CA5B Q9Y2D0 8/20 0.80
▸ CA3 P07451 7/20 0.80
▸ CA13 Q8N1Q1 7/20 0.80
▸ CA5A P35218 6/20 0.80
▸ CA4 P22748 3/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ HTR1A P08908 1/20 0.69
▸ HSD11B1 P28845 1/20 0.69
▸ SLC10A1 Q14973 1/20 0.69
▸ GPR35 Q9HC97 1/20 0.69
▸ ABCG2 Q9UNQ0 1/20 0.69

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
SCHEMBL12418658 0.90 CISD1 (0.81) CISD1CA12CA1CA2CA9
SCHEMBL31670531 0.89 CA1 (1.00) CISD1CA12CA1CA2CA9
SCHEMBL13545223 0.89 CISD1 (0.80) CISD1CA12CA1CA2CA9
SCHEMBL18424857 0.89 CA1 (1.00) CISD1CA12CA1CA2CA9
SCHEMBL13543235 0.88 CISD1 (0.78) CISD1CA12CA1CA2CA9
SCHEMBL18425099 0.88 CISD1 (0.78) CISD1CA12CA1CA2CA9
SCHEMBL11816758 0.87 CISD1 (0.77) CISD1CA12CA1CA2CA9
SCHEMBL18425356 0.85 CA12 (1.00) CISD1CA12CA1CA2CA9
SCHEMBL22515417 0.84 CISD1 (0.73) CISD1CA12CA1CA2CA9
SCHEMBL11874599 0.84 CISD1 (0.72) CISD1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 — — EP claimed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 — — US claimed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 — — EP disclosed
US-4855289-A Combination of two active substances WESTER PER O (SE) 1989-08-08 — — US disclosed
US-4552871-A ALDOSTERONE-ANTAGONISTIC, DIURETICS CIBA GEIGY CORPORATION (US) 1985-11-12 — — US disclosed
EP-0127124-A2 Compounds for treating hypertension USV PHARMACEUTICAL CORPORATION (US) 1984-12-05 — — EP disclosed
US-4283407-A ANTIHYPERTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1981-08-11 — — US disclosed
US-4261985-A REDUCED EXCRETION OF POTASSIUM IONS BY INCLUSION OF ALDOSTERONE ANTAGONIST CIBA-GEIGY CORPORATION (US) 1981-04-14 — — US disclosed
US-4075335-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 — — US disclosed
US-4075208-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 — — US disclosed
US-3956335-A HYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1976-05-11 — — 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 CISD1 1891/4885CA12 449/4885CA1 492/4885

“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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