SCHEMBL25528806

SCHEMBL25528806

CC(C)(C)OC(=O)C(Cc1ccc(Br)cc1Br)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 8/20 0.40
▸ CTSS P25774 2/20 0.35
▸ CTSK P43235 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PYCR1 P32322 1/20 0.32
▸ CTSB P07858 1/20 0.32

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
SCHEMBL18179190 0.89 AAK1 (0.39) AAK1CTSSCTSKNPSR1ALDH1A1
SCHEMBL18170236 0.88 AAK1 (0.39) AAK1CTSSCTSKNPSR1MEN1
SCHEMBL18166854 0.88 AAK1 (0.41) AAK1CTSSCTSKMEN1KMT2A
SCHEMBL18166875 0.86 AAK1 (0.37) AAK1CTSSCTSKNPSR1ITGA4
SCHEMBL28367565 0.81 AAK1 (0.39) AAK1CTSSCTSKMTNR1AMTNR1B
SCHEMBL29659707 0.81 AAK1 (0.39) AAK1CTSSCTSKMTNR1AMTNR1B
SCHEMBL18166849 0.81 USP30 (0.36) AAK1
SCHEMBL23544353 0.79 SLC7A5 (0.38) AAK1CTSSCTSKMEN1KMT2A
SCHEMBL31411233 0.79 SLC7A5 (0.38) AAK1CTSSCTSKMEN1KMT2A
SCHEMBL31411237 0.79 SLC7A5 (0.38) AAK1CTSSCTSKMEN1KMT2A

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-20230242555-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE NEUBORON MEDTECH LTD. (CN) 2023-08-03 — — US disclosed
US-11655261-B2 Method for preparing 18F-BPA and intermediate NEUBORON MEDTECH LTD. (CN) 2023-05-23 — — 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 (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-20230242555-A1 METHOD FOR PREPARING 18F-BPA AND INTERMEDIATE CYP19A1, SHBG, ESR1 AAK1 2159/4885CTSS 1606/4885CTSK 1792/4885
US-11655261-B2 Method for preparing 18F-BPA and intermediate CYP19A1, SHBG, ESR1 AAK1 2159/4885CTSS 1606/4885CTSK 1792/4885

“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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