SCHEMBL6339840

SCHEMBL6339840

C[C@@](N)(Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 2/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ USP2 O75604 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ EGFR P00533 1/20 0.58
▸ FYN P06241 1/20 0.58
▸ POLB P06746 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ MAPT P10636 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ MTOR P42345 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ CASP6 P55212 1/20 0.58

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
SCHEMBL6339842 1.00 BLM (0.58) BLMCYP1A2KDM4EMEN1USP2
SCHEMBL10680474 1.00 BLM (0.58) BLMCYP1A2KDM4EMEN1USP2
SCHEMBL8241245 0.84 TAAR1 (0.49) BLMCYP1A2KDM4EMEN1USP2
SCHEMBL23123860 0.83 RIPK1 (0.52) EGFRRIPK1TAAR1HCAR2CTSB
SCHEMBL1812510 0.83 RIPK1 (0.44) CYP1A2KDM4ECYP3A4HPGDRIPK1
SCHEMBL1812512 0.83 RIPK1 (0.44) CYP1A2KDM4ECYP3A4HPGDRIPK1
SCHEMBL586073 0.82 BLM (0.65) BLMCYP1A2KDM4EMEN1USP2
SCHEMBL6532919 0.82 KDM4E (0.59) BLMCYP1A2KDM4EMEN1USP2
SCHEMBL586074 0.82 BLM (0.65) BLMCYP1A2KDM4EMEN1USP2
SCHEMBL19407431 0.81 RIPK1 (0.42) CYP1A2KDM4ECYP3A4HPGDRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 — — US claimed
US-20050080260-A1 Preparation of prodrugs for selective drug delivery LUMINIDE 2005-04-14 — — US disclosed
US-6555663-B1 Pharmaceuticals which are activated intracellularly by reaction with cellular electron carriers or free radicals to cause release of a free and active drug molecule MILLS RANDELL LEE (US) 2003-04-29 — — US disclosed
EP-0414730-B1 Chemical Compounds and pharmaceutical compositions capable of releasing a drug MILLS RANDELL L (US) 1999-12-15 — — EP disclosed
US-5773592-A COMPRISES A CHEMILUMINESCENT MOIETY, A PHOTOCHROMIC MOIETY AND A BIOLOGICALLY ACTIVE AGENT CAPABLE OF BEING RELEASED MILLS RANDELL LEE (US) 1998-06-30 — — US disclosed
US-5428163-A Luminides; chemiluminescence; redox system, releasing free drug MILLS RANDELL L (US) 1995-06-27 — — US disclosed
EP-0414730-A4 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS — 1993-06-16 — — EP disclosed
EP-0414730-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS Mills, Randell L. (US) 1991-03-06 — — EP disclosed
WO-1989009833-A1 LUMINIDE AND MACROLUMINIDE CLASS OF PHARMACEUTICALS MILLS RANDELL L (US) 1989-10-19 — — 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 (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-20050080260-A1 Preparation of prodrugs for selective drug delivery APEH, PAH, ALAD BLM 2777/4885CYP1A2 214/4885KDM4E 3072/4885

“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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