SCHEMBL3979152

SCHEMBL3979152

CS(C)(=O)=NC(=O)Nc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.56
▸ HTT P42858 4/20 0.55
▸ GAA P10253 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ THRB P10828 2/20 0.55
▸ CA12 O43570 1/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ CA9 Q16790 1/20 0.55
▸ KMT2A Q03164 6/20 0.54
▸ MAPT P10636 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ POLB P06746 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RAB9A P51151 1/20 0.47

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
SCHEMBL3979951 0.85 HTT (0.56) ALDH1A1HTTL3MBTL1KMT2AMAPT
SCHEMBL3988541 0.84 MEN1 (0.56) ALDH1A1HTTGAACA12CA1
SCHEMBL3983413 0.82 MEN1 (0.60) ALDH1A1HTTKMT2AMAPTMEN1
SCHEMBL3989129 0.80 PKM (0.66) ALDH1A1HTTGAAKMT2AMAPT
SCHEMBL3979154 0.79 ALDH1A1 (0.56) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL29664585 0.79 ALDH1A1 (0.66) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL7869881 0.79 CYP19A1 (0.56) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL3124112 0.79 ALDH1A1 (0.66) ALDH1A1HTTGAAL3MBTL1THRB
SCHEMBL3982260 0.78 KDR (0.42) ALDH1A1GAACA12CA1CA2
SCHEMBL3989072 0.77 KMT2A (0.57) ALDH1A1GAACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2059511-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2009-05-20 — — EP disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 — — US disclosed
US-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors BAYER SCHERING PHARMA AG (DE) 2008-07-10 — — US disclosed
WO-2008025556-A1 SULPHOXIMIDES AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 — — 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 (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-20080167330-A1 Carbamoylsulphoximides as protein kinase inhibitors CABLES1, CKS2, CDK2AP1 ALDH1A1 1535/4885HTT 4393/4885GAA 4609/4885

“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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