SCHEMBL25367109

SCHEMBL25367109

CC(C)(C)OC(=O)NC(=O)OCc1cc(F)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AAK1 Q2M2I8 3/20 0.36
CACNA1B Q00975 2/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL23093403 0.81 MMP2 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1MMP1
SCHEMBL29555276 0.80 KDM4A (0.43) L3MBTL1AAK1CTSSCTSK
SCHEMBL23105713 0.80 KDM4A (0.43) L3MBTL1AAK1CTSSCTSK
SCHEMBL30660472 0.79 CA12 (0.43)
SCHEMBL6629935 0.78 L3MBTL1 (0.44) L3MBTL1MMP1MMP2MMP9MMP12
SCHEMBL14448981 0.76 ALDH1A1 (0.41) KMT2ASMN1; SMN2L3MBTL1MMP1MMP2
SCHEMBL30881188 0.76 ALDH1A1 (0.41) KMT2ASMN1; SMN2L3MBTL1MMP1MMP2
SCHEMBL30681276 0.74 DPP8 (0.40) AAK1CTSSCTSK
SCHEMBL28355512 0.74 MGLL (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1NPC1
SCHEMBL29037153 0.73 GRM5 (0.42) L3MBTL1MMP1MMP2MMP9MMP12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS ERMIUM THERAPEUTICS (FR) 2024-01-18 US disclosed
EP-4217353-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS Ermium Therapeutics (FR) 2023-08-02 EP 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 (1 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-20240018125-A1 CYCLIC ISOTHIOUREA DERIVATIVES AS CXCR4 MODULATORS CXCR4, CXCR1, CXCL12 MEN1 4670/4885KMT2A 4150/4885SMN1; SMN2 3965/4885

“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.