SCHEMBL31411233

SCHEMBL31411233

CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(Br)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.38
AAK1 Q2M2I8 10/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LTA4H P09960 1/20 0.34
CTSB P07858 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
SCHEMBL31411237 1.00 SLC7A5 (0.38) SLC7A5AAK1MTNR1AMTNR1BCTSS
SCHEMBL23544353 1.00 SLC7A5 (0.38) SLC7A5AAK1MTNR1AMTNR1BCTSS
SCHEMBL21029463 0.86 AAK1 (0.43) SLC7A5AAK1MEN1KMT2A
SCHEMBL10560719 0.83 CTSS (0.49) SLC7A5AAK1CTSSCTSKNPC1
SCHEMBL17258287 0.82 ALDH1A1 (0.41) AAK1ALDH1A1
SCHEMBL17258288 0.82 ALDH1A1 (0.41) AAK1ALDH1A1
SCHEMBL24187349 0.81 DPP4 (0.43) SLC7A5AAK1MTNR1AMTNR1BALDH1A1
SCHEMBL31618904 0.81 DPP4 (0.43) SLC7A5AAK1MTNR1AMTNR1BALDH1A1
SCHEMBL7340685 0.80 CTSS (0.47) SLC7A5CTSSCTSKNPC1RAB9A
SCHEMBL10562986 0.80 CTSS (0.47) SLC7A5CTSSCTSKNPC1RAB9A

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-20260132101-A1 METHOD FOR RESOLVING PHENYLALANINE DERIVATIVE, AND INTERMEDIATE NEUBORON BIO SCITECH CO LTD (CN) 2026-05-14 US disclosed
CN-119330846-A Resolution method and intermediate of phenylalanine derivatives 中硼(厦门)生物医药有限公司 2025-01-21 CN 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-20260132101-A1 METHOD FOR RESOLVING PHENYLALANINE DERIVATIVE, AND INTERMEDIATE ADH1A, ADH5, NAT1 SLC7A5 236/4885AAK1 2702/4885MTNR1A 1436/4885

“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.