SCHEMBL19358850

SCHEMBL19358850

Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3cccc(C)c3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.72
▸ CA2 P00918 1/20 0.72
▸ MAPT P10636 3/20 0.71
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ HTT P42858 1/20 0.64
▸ LMNA P02545 2/20 0.63
▸ TP53 P04637 1/20 0.63
▸ GPR17 Q13304 1/20 0.60
▸ CYP19A1 P11511 1/20 0.59
▸ POLB P06746 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ OPRK1 P41145 2/20 0.57

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
SCHEMBL19358881 0.93 HTT (0.75) CA1CA2MAPTMEN1KMT2A
SCHEMBL19358883 0.90 MAPT (0.63) CA1CA2MAPTMEN1KMT2A
SCHEMBL19358915 0.90 CA1 (0.67) CA1CA2MAPTMEN1KMT2A
SCHEMBL19358924 0.89 MAPT (0.74) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL19358844 0.88 MAPT (0.65) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL19358853 0.87 TP53 (0.81) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL19358887 0.84 MAPT (0.82) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL19358859 0.82 ALDH1A1 (0.84) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL19358856 0.81 ALDH1A1 (0.76) CA2MAPTMEN1KMT2AALDH1A1
SCHEMBL19358841 0.81 MEN1 (0.75) MAPTMEN1KMT2AALDH1A1HTT

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 CA1 2023/4885CA2 1700/4885MAPT 4641/4885
US-10669270-B2 Amide-sulfamide derivatives, compositions, and uses related to CXCR4 inhibition CXCR4, CXCL12, CXCR2 CA1 2023/4885CA2 1700/4885MAPT 4641/4885

“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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