SCHEMBL17763537

SCHEMBL17763537

CC(=O)CCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA3 P07451 3/20 0.44
CA4 P22748 3/20 0.44
CA6 P23280 3/20 0.44
CA5A P35218 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA13 Q8N1Q1 3/20 0.44
CA14 Q9ULX7 3/20 0.44
CA5B Q9Y2D0 3/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL15444607 0.84 ALDH1A1 (0.48) ALDH1A1HSP90AA1KMT2APOLBMAPK1
SCHEMBL30865768 0.84 CA1 (0.53) ALDH1A1HSP90AA1POLBCA1CA2
SCHEMBL28809339 0.82 ALDH1A1 (0.49) ALDH1A1HSP90AA1KMT2APOLBMAPK1
SCHEMBL27970653 0.81 MAPT (0.50) ALDH1A1HSP90AA1KMT2ACA1CA2
SCHEMBL17763488 0.81 STAT3 (0.47) ALDH1A1KMT2ACA1CA12CA9
SCHEMBL27935675 0.81 CA1 (0.47) ALDH1A1HSP90AA1KMT2APOLBCA1
SCHEMBL1759088 0.81 TSHR (0.49) ALDH1A1HSP90AA1POLBCA1CA2
SCHEMBL12737573 0.80 CA1 (0.46) ALDH1A1HSP90AA1CA1CA2CA12
SCHEMBL1759253 0.80 CA1 (0.46) ALDH1A1HSP90AA1POLBCA1CA2
SCHEMBL1759251 0.80 CA1 (0.46) ALDH1A1HSP90AA1POLBMAPK1CA1

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
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT REDDY S LAB LIMTED DR (IN) 2016-06-16 US claimed
EP-3021851-A2 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT Dr. Reddy's Laboratories Ltd. (IN) 2016-05-25 EP claimed
US-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT REDDY S LAB LIMTED DR (IN) 2016-06-16 US disclosed
EP-3021851-A2 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT Dr. Reddy's Laboratories Ltd. (IN) 2016-05-25 EP 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-20160168138-A1 PROCESS FOR THE PREPARATION OF SUVOREXANT AND INTERMEDIATES USEFUL IN THE SYNTHESIS OF SUVOREXANT KMO, HCRTR2, COMT ALDH1A1 1864/4885HSP90AA1 4843/4885KMT2A 163/4885

“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.