SCHEMBL9953883

SCHEMBL9953883

NS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 1.00
CA2 P00918 13/20 1.00
CA9 Q16790 11/20 1.00
CA12 O43570 9/20 1.00
LMNA P02545 1/20 0.55
THRB P10828 1/20 0.55
CYP2C19 P33261 1/20 0.55
CA4 P22748 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
OPRK1 P41145 1/20 0.54
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.50
CA7 P43166 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9953139 0.88 CA2 (1.00) CA1CA2CA9CA12LMNA
SCHEMBL15312866 0.84 CA2 (1.00) CA1CA2CA9CA12LMNA
SCHEMBL15312802 0.82 CA1 (1.00) CA1CA2CA9CA12LMNA
SCHEMBL5312329 0.76 LMNA (0.70) CA1CA2CA9CA12LMNA
Potassium Ion SCHEMBL5317511 0.74 LMNA (0.68) CA1CA2CA9CA12LMNA
SCHEMBL15024639 0.73 LMNA (0.80) CA1CA2CA9CA12LMNA
SCHEMBL8432165 0.73 LMNA (0.78) CA1CA2CA9CA12LMNA
SCHEMBL4319784 0.72 LMNA (0.61) CA1CA2CA9CA12LMNA
SCHEMBL13241841 0.72 MAPT (0.77) ALDH1A1GAAMAPTKMT2A
SCHEMBL942538 0.72 LMNA (0.68) CA1CA2CA9CA12LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150849-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO- CLINIC" (NL) 2015-06-04 US disclosed
US-8980932-B2 Cancer targeting using carbonic anhydrase isoform IX inhibitors Stichting Maastricht Radiation Oncology “Maastro-Clinic” (NL) 2015-03-17 US disclosed
CN-103443083-A Cancer Targeting Using Carbonic Anhydrase Isoenzyme IX Inhibitors STICHTING MAASTRICHT RADIATION ONCOLOGY MAASTRO CLINIC 2013-12-11 CN disclosed
EP-2655336-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO CLINIC" (NL) 2013-10-30 EP disclosed
US-20130274305-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS Supuran, Claudiu (IT) 2013-10-17 US disclosed
WO-2012087115-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS STICHTING MAASTRICHT RADIATION ONCOLOGY "MAASTRO-CLINIC" (NL) 2012-06-28 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-20150150849-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS CA9, HIF1AN, CA4 CA1 9/4885CA2 5/4885CA9 1/4885
US-20130274305-A1 CANCER TARGETING USING CARBONIC ANHYDRASE ISOFORM IX INHIBITORS CA9, HIF1AN, CA4 CA1 9/4885CA2 5/4885CA9 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.