SCHEMBL19358844

SCHEMBL19358844

COc1cccc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)c1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.65
▸ KCNA5 P22460 1/20 0.63
▸ ALDH1A1 P00352 3/20 0.62
▸ OPRK1 P41145 2/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ HTT P42858 2/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ MMP13 P45452 3/20 0.58
▸ LMNA P02545 1/20 0.57
▸ TP53 P04637 1/20 0.57
▸ RAB9A P51151 1/20 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
SCHEMBL19358852 0.91 HTT (0.70) MAPTKCNA5ALDH1A1HTTHSD17B10
SCHEMBL19358850 0.88 CA1 (0.72) MAPTALDH1A1OPRK1L3MBTL1HTT
SCHEMBL19358877 0.86 ALDH1A1 (0.76) MAPTALDH1A1OPRK1MEN1KMT2A
SCHEMBL19358883 0.84 MAPT (0.63) MAPTALDH1A1OPRK1L3MBTL1HTT
SCHEMBL19358915 0.84 CA1 (0.67) MAPTALDH1A1OPRK1HTTMEN1
SCHEMBL19358924 0.84 MAPT (0.74) MAPTALDH1A1OPRK1L3MBTL1HTT
SCHEMBL16430155 0.83 KMT2A (0.77) MAPTOPRK1MEN1KMT2ARAB9A
SCHEMBL5334260 0.83 MMP13 (0.85) ALDH1A1MEN1KMT2AMMP13LMNA
SCHEMBL19358853 0.82 TP53 (0.81) MAPTALDH1A1OPRK1MEN1KMT2A
SCHEMBL10047336 0.81 CYP19A1 (0.76) MAPTKCNA5ALDH1A1L3MBTL1MEN1

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 MAPT 4641/4885KCNA5 3643/4885ALDH1A1 352/4885
US-10669270-B2 Amide-sulfamide derivatives, compositions, and uses related to CXCR4 inhibition CXCR4, CXCL12, CXCR2 MAPT 4641/4885KCNA5 3643/4885ALDH1A1 352/4885

“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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