SCHEMBL19358890

SCHEMBL19358890

Cc1ccc(S(=O)(=O)NCc2ccc(CNC(=O)c3ccccc3F)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.63
▸ CA12 O43570 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ ALDH1A1 P00352 6/20 0.57
▸ CXCR4 P61073 1/20 0.57
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ KDM4E B2RXH2 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ TUBB P07437 1/20 0.54
▸ OPRK1 P41145 1/20 0.53

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
SCHEMBL19358867 0.90 CXCR4 (0.69) POLBCA12CYP1A2CA9ALDH1A1
SCHEMBL19358930 0.88 CA12 (0.62) CA12CYP1A2CYP3A4ATMCA9
SCHEMBL15686111 0.87 ALDH1A1 (0.68) POLBCYP1A2ALDH1A1LMNAKDM4E
SCHEMBL19358866 0.86 MEN1 (0.60) POLBCA12CYP1A2CYP3A4ATM
SCHEMBL19358864 0.85 HPGD (0.64) POLBCA12CYP1A2CYP3A4ATM
SCHEMBL19358924 0.83 MAPT (0.74) POLBCA12CYP1A2CYP3A4ATM
SCHEMBL19358853 0.81 TP53 (0.81) POLBALDH1A1CXCR4MAPTLMNA
SCHEMBL19358861 0.81 MAPT (0.83) POLBL3MBTL1ALDH1A1CXCR4MAPT
SCHEMBL19358880 0.80 CXCR4 (0.62) POLBCA12CYP1A2CYP3A4ATM
SCHEMBL19358887 0.80 MAPT (0.82) POLBCA12CYP1A2CYP3A4ATM

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 POLB 4469/4885CA12 2281/4885CYP1A2 2817/4885
US-10669270-B2 Amide-sulfamide derivatives, compositions, and uses related to CXCR4 inhibition CXCR4, CXCL12, CXCR2 POLB 4469/4885CA12 2281/4885CYP1A2 2817/4885

“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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