SCHEMBL19358874

SCHEMBL19358874

O=C(NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB P07437 1/20 0.64
▸ CXCR4 P61073 1/20 0.62
▸ HTT P42858 1/20 0.57
▸ KEAP1 Q14145 1/20 0.56
▸ LMNA P02545 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ 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
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ MAPT P10636 1/20 0.51

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
SCHEMBL19358866 0.90 MEN1 (0.60) TUBBLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL19358867 0.84 CXCR4 (0.69) TUBBCXCR4HTTKEAP1LMNA
SCHEMBL19358880 0.84 CXCR4 (0.62) TUBBCXCR4HTTKEAP1LMNA
SCHEMBL5860823 0.83 NPC1 (0.71) LMNAALDH1A1KMT2AAPEX1TP53
SCHEMBL19358849 0.82 TUBB (0.61) TUBBCXCR4HTTKEAP1LMNA
SCHEMBL19358860 0.82 CXCR4 (0.82) CXCR4HTTKEAP1LMNAALDH1A1
SCHEMBL19358847 0.82 CXCR4 (0.77) TUBBCXCR4HTTKEAP1SMN1; SMN2
SCHEMBL19358848 0.81 HPGD (0.71) TUBBCXCR4HTTLMNASMN1; SMN2
SCHEMBL6358889 0.80 ALDH1A1 (0.65) HTTLMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL19358854 0.79 HTT (0.75) TUBBCXCR4HTTLMNASMN1; SMN2

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 TUBB 4478/4885CXCR4 1/4885HTT 2692/4885
US-10669270-B2 Amide-sulfamide derivatives, compositions, and uses related to CXCR4 inhibition CXCR4, CXCL12, CXCR2 TUBB 4478/4885CXCR4 1/4885HTT 2692/4885

“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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