SCHEMBL30069429

SCHEMBL30069429

CC(C)(C)OC(=O)NCc1cccc(CO)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.55
KDM4A O75164 1/20 0.49
BRD4 O60885 3/20 0.48
CREBBP Q92793 1/20 0.47
NAMPT P43490 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.45
CYP3A4 P08684 1/20 0.44
BRD9 Q9H8M2 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
GRM2 Q14416 1/20 0.44
IDO1 P14902 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL1165088 1.00 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
Alcohol SCHEMBL4213400 0.97 GLS (0.53) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL16410240 0.93 BRD4 (0.53) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL16181822 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL13981921 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL8342682 0.88 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL3346015 0.87 GLS (0.54) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL851272 0.87 GLS (0.55) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL5102152 0.87 GLS (0.54) GLSKDM4ABRD4CREBBPNAMPT
SCHEMBL184953 0.87 GLS (0.54) GLSKDM4ABRD4CREBBPNAMPT

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
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2026-03-24 US disclosed
US-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2024-09-26 US disclosed
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
WO-2023028077-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2023-03-02 WO disclosed
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2022-11-15 US 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 (4 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-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 GLS 2272/4885KDM4A 4181/4885BRD4 3235/4885
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCL12, CXCR1 GLS 2272/4885KDM4A 4181/4885BRD4 3235/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 GLS 2272/4885KDM4A 4181/4885BRD4 3235/4885
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCR2, CXCR1 GLS 3394/4885KDM4A 3485/4885BRD4 2663/4885

“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.