SCHEMBL3076773

SCHEMBL3076773

C[C@H](NC(=O)CCC(=O)O)c1ccccc1

nearest known ligand 0.89

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.71
ALDH1A1 P00352 4/20 0.61
PKM P14618 1/20 0.59
HPGD P15428 2/20 0.58
GPR139 Q6DWJ6 2/20 0.58
GAA P10253 1/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL3069332 1.00 MAPT (0.71) MAPTALDH1A1PKMHPGDGPR139
SCHEMBL692819 1.00 MAPT (0.71) MAPTALDH1A1PKMHPGDGPR139
SCHEMBL27892108 0.90 MAPT (0.67) MAPTALDH1A1PKMHPGDGPR139
SCHEMBL9516620 0.86 MAPT (0.82) MAPTALDH1A1PKMHPGDGPR139
SCHEMBL3677980 0.86 MAPT (0.67) MAPTALDH1A1PKMHPGDGPR139
SCHEMBL23080142 0.86 MAPT (0.71) MAPTALDH1A1PKMHPGDGPR139
SCHEMBL16975095 0.86 MAPT (0.71) MAPTALDH1A1PKMHPGDGPR139
SCHEMBL18241727 0.86 MAPT (0.71) MAPTALDH1A1PKMHPGDGPR139
SCHEMBL6400133 0.84 MAPT (0.69) MAPTALDH1A1PKMHPGDGPR139
SCHEMBL31373866 0.84 MAPT (0.69) MAPTALDH1A1PKMHPGDGPR139

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250135005-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES TAMBO INC (US) 2025-05-01 US disclosed
US-12194100-B2 Processes for preparing functionalized cyclooctenes TAMBO, INC. (US) 2025-01-14 US disclosed
US-20210346502-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES TAMBO INC (US) 2021-11-11 US disclosed
WO-2014009964-A1 PROCESS FOR ENANTIOMERIC ENRICHMENT OF 2 ', 6 ' - PIPECOLOXYLIDIDE NEON LABORATORIES LIMITED (IN) 2014-01-16 WO disclosed
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-09-02 US disclosed
US-7745665-B2 Substituted phenethylamines AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 US disclosed
WO-2009094457-A2 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS (US) 2009-07-30 WO disclosed
WO-2009077173-A2 DNA-ENCODED CHEMICAL LIBRARIES PHILOCHEM AG (CH) 2009-06-25 WO disclosed
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-04 US disclosed
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-23 US disclosed
EP-1185869-B1 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICALS AG (DE) 2006-07-26 EP disclosed
US-20050153357-A1 Bioactive sensors EICHLER JUTTA (DE) 2005-07-14 US disclosed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
US-20020127577-A1 Bioactive sensors GRAFFINITY PHARMACEUTICALS AG (DE) 2002-09-12 US disclosed
EP-1185869-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER Graffinity Pharmaceutical Design GmbH (DE) 2002-03-13 EP disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000073796-A2 LIGAND-ANCHOR CONJUGATES FOR PRODUCING A BIOSENSOR LAYER GRAFFINITY PHARMACEUTICAL DESIGN GMBH (DE) 2000-12-07 WO disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (8 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-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 MAPT 281/4885ALDH1A1 4444/4885PKM 377/4885
US-20060264493-A1 Tetracyclic pyrazole derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K1, MAP3K19, MAP3K20 MAPT 639/4885ALDH1A1 4446/4885PKM 503/4885
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors ADRB1, ADRB2, ADRA1A MAPT 2007/4885ALDH1A1 1022/4885PKM 531/4885
US-12194100-B2 Processes for preparing functionalized cyclooctenes PPOX, SCO2, CYCS MAPT 4086/4885ALDH1A1 4078/4885PKM 1564/4885
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS UGT2B7, CYP3A7, CYP3A43 MAPT 2684/4885ALDH1A1 103/4885PKM 773/4885
US-20210346502-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES PPOX, SCO2, CYCS MAPT 4086/4885ALDH1A1 4078/4885PKM 1564/4885
US-20250135005-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES PPOX, SCO2, CYCS MAPT 4086/4885ALDH1A1 4078/4885PKM 1564/4885
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES ADRB1, ADRA2C, ADRB2 MAPT 1647/4885ALDH1A1 489/4885PKM 366/4885

“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.