SCHEMBL19358908

SCHEMBL19358908

O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.70
OPRM1 P35372 2/20 0.70
OPRK1 P41145 2/20 0.70
CA2 P00918 4/20 0.68
CA1 P00915 2/20 0.60
HTT P42858 1/20 0.59
MAPT P10636 2/20 0.58
CYP19A1 P11511 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.56
RECQL P46063 1/20 0.56
FFAR1 O14842 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.54

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
SCHEMBL19358846 0.89 TP53 (0.67) CXCR4OPRM1OPRK1CA2CA1
SCHEMBL4661775 0.87 CA2 (0.76) OPRM1OPRK1CA2CA1MAPT
SCHEMBL19358860 0.86 CXCR4 (0.82) CXCR4OPRM1OPRK1CA2CA1
SCHEMBL30254760 0.86 CXCR4 (0.78) CXCR4OPRK1CA2CA1HTT
SCHEMBL11615300 0.85 RAB9A (0.74) CA2MAPTSMN1; SMN2FFAR1NPC1
SCHEMBL6961817 0.85 CA2 (0.68) CA2SMN1; SMN2POLBFFAR1NPC1
SCHEMBL121841 0.83 CYP19A1 (0.80) OPRM1OPRK1CA2CA1MAPT
SCHEMBL19358847 0.83 CXCR4 (0.77) CXCR4OPRM1OPRK1HTTMAPT
SCHEMBL19358855 0.83 CXCR4 (1.00) CXCR4OPRM1OPRK1HTTMAPT
SCHEMBL19358887 0.83 MAPT (0.82) CXCR4OPRM1OPRK1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3429588-B1 AMIDE-SULFAMIDE DERIVATIVES, COMPOSITIONS, AND USES RELATED TO CXCR4 INHIBITION UNIV EMORY (US) 2024-09-18 EP disclosed
US-10669270-B2 Amide-sulfamide derivatives, compositions, and uses related to CXCR4 inhibition EMORY UNIVERSITY (US) 2020-06-02 US disclosed
US-20190084980-A1 Amide-Sulfamide Derivatives, Compositions, and Uses Related to CXCR4 Inhibition EMORY UNIVERSITY (US) 2019-03-21 US disclosed
EP-3429588-A1 AMIDE-SULFAMIDE DERIVATIVES, COMPOSITIONS, AND USES RELATED TO CXCR4 INHIBITION Emory University (US) 2019-01-23 EP disclosed
WO-2017160832-A1 AMIDE-SULFAMIDE DERIVATIVES, COMPOSITIONS, AND USES RELATED TO CXCR4 INHIBITION EMORY UNIVERSITY (US) 2017-09-21 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-20190084980-A1 Amide-Sulfamide Derivatives, Compositions, and Uses Related to CXCR4 Inhibition CXCR4, CXCL12, CXCR2 CXCR4 1/4885OPRM1 190/4885OPRK1 112/4885
US-10669270-B2 Amide-sulfamide derivatives, compositions, and uses related to CXCR4 inhibition CXCR4, CXCL12, CXCR2 CXCR4 1/4885OPRM1 190/4885OPRK1 112/4885

“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.