SCHEMBL19358880

SCHEMBL19358880

Cc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.62
▸ MAPK1 P28482 1/20 0.59
▸ TUBB P07437 1/20 0.58
▸ HTT P42858 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ KEAP1 Q14145 1/20 0.56
▸ CA12 O43570 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ HPGD P15428 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ APEX1 P27695 1/20 0.52
▸ CA1 P00915 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ RECQL P46063 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
SCHEMBL19358930 0.92 CA12 (0.62) MAPK1TUBBMAPTCA12CA9
SCHEMBL19358867 0.84 CXCR4 (0.69) CXCR4TUBBHTTMAPTKEAP1
SCHEMBL19358874 0.84 TUBB (0.64) CXCR4TUBBHTTMAPTKEAP1
SCHEMBL19358848 0.84 HPGD (0.71) CXCR4MAPK1TUBBHTTMAPT
SCHEMBL1032002 0.83 MAPK1 (0.77) MAPK1HTTHPGDCYP3A4L3MBTL1
SCHEMBL19358860 0.82 CXCR4 (0.82) CXCR4HTTMAPTKEAP1CA12
SCHEMBL19358887 0.82 MAPT (0.82) CXCR4HTTMAPTCA12CA9
SCHEMBL19358890 0.80 POLB (0.63) CXCR4TUBBMAPTCA12CA9
SCHEMBL19358866 0.80 MEN1 (0.60) TUBBMAPTCA12CA9HPGD
SCHEMBL1034235 0.80 HPGD (0.72) MAPK1HPGDAPEX1KDM4EMEN1

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 1/4885MAPK1 1560/4885TUBB 4478/4885
US-10669270-B2 Amide-sulfamide derivatives, compositions, and uses related to CXCR4 inhibition CXCR4, CXCL12, CXCR2 CXCR4 1/4885MAPK1 1560/4885TUBB 4478/4885

“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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