SCHEMBL17705376

SCHEMBL17705376

[N-]=[N+]=NS(=O)(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.49
BCL2L1 Q07817 4/20 0.46
MCL1 Q07820 4/20 0.46
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADAMTS4 O75173 1/20 0.43
KDM4E B2RXH2 1/20 0.41
GSTP1 P09211 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 1/20 0.41
PGR P06401 2/20 0.41
PTGS2 P35354 1/20 0.40
MMP2 P08253 1/20 0.39
MMP7 P09237 1/20 0.39

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
SCHEMBL26812 0.88 HTT (0.47) SOS1LMNAHTTSMN1; SMN2CA1
SCHEMBL2724222 0.87 CA12 (0.48) CA1CA2CA9MMP1PTGS2
SCHEMBL22033289 0.83 HTT (0.42) SOS1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL5676376 0.83 CA2 (0.41) BCL2L1LMNAHTTSMN1; SMN2CA1
SCHEMBL81874 0.79 HTR6 (0.44) BCL2L1LMNAHTTSMN1; SMN2KDM4E
Diphenylether SCHEMBL16004650 0.78 LTA4H (0.48) SOS1LMNAHTTSMN1; SMN2CA1
Phosphine SCHEMBL28308716 0.77 HTR6 (0.42) BCL2L1LMNAHTTSMN1; SMN2KDM4E
Hydrogen Sulfide SCHEMBL28252271 0.77 HTR6 (0.42) BCL2L1LMNAHTTSMN1; SMN2KDM4E
Methane SCHEMBL29217844 0.77 HTR6 (0.42) BCL2L1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL10823807 0.77 CA1 (0.43) BCL2L1LMNAHTTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11479532-B2 5-aminolevulinate synthase inhibitors and methods of use thereof UNIVERSITY OF SOUTH FLORIDA (US) 2022-10-25 US disclosed
WO-2018237163-A1 5-AMINOLEVULINATE SYNTHASE INHIBITORS AND METHODS OF USE THEREOF MANETSCH ROMAN (US) 2018-12-27 WO disclosed
US-20160116482-A1 Target Binding Molecules Identified by Kinetic Target-Guided Synthesis THE PENN STATE RESEARCH FOUNDATION (US) 2016-04-28 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 (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-20160116482-A1 Target Binding Molecules Identified by Kinetic Target-Guided Synthesis MCL1, BCL2L1, BCL2L2 SOS1 200/4885BCL2L1 2/4885MCL1 1/4885
US-11479532-B2 5-aminolevulinate synthase inhibitors and methods of use thereof ALAD, HMBS, PPOX SOS1 3055/4885BCL2L1 3974/4885MCL1 2295/4885

“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.