SCHEMBL19358867

SCHEMBL19358867

O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1F

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.69
▸ HPGD P15428 1/20 0.59
▸ POLB P06746 1/20 0.58
▸ TUBB P07437 1/20 0.58
▸ HTT P42858 1/20 0.57
▸ KAT6A Q92794 2/20 0.57
▸ KEAP1 Q14145 1/20 0.56
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC7 Q8WUI4 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ APEX1 P27695 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52

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
SCHEMBL19358890 0.90 POLB (0.63) CXCR4HPGDPOLBTUBBALDH1A1
SCHEMBL19358874 0.84 TUBB (0.64) CXCR4POLBTUBBHTTKEAP1
SCHEMBL19358880 0.84 CXCR4 (0.62) CXCR4HPGDPOLBTUBBHTT
SCHEMBL12181631 0.83 ALDH1A1 (0.74) HPGDPOLBHTTHDAC1HDAC7
SCHEMBL19358860 0.82 CXCR4 (0.82) CXCR4POLBHTTKEAP1HDAC1
SCHEMBL19358855 0.82 CXCR4 (1.00) CXCR4HPGDPOLBHTTKEAP1
SCHEMBL19358848 0.81 HPGD (0.71) CXCR4HPGDPOLBTUBBHTT
SCHEMBL15686617 0.80 KMT2A (0.74) HPGDPOLBHTTHDAC1HDAC7
SCHEMBL27752218 0.79 KMT2A (0.64) HPGDPOLBHDAC1HDAC7ALDH1A1
SCHEMBL17339267 0.78 TRPV1 (0.58) HPGDPOLBHDAC1HDAC7ALDH1A1

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 1/4885HPGD 951/4885POLB 4469/4885
US-10669270-B2 Amide-sulfamide derivatives, compositions, and uses related to CXCR4 inhibition CXCR4, CXCL12, CXCR2 CXCR4 1/4885HPGD 951/4885POLB 4469/4885

“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.

Send feedback