SCHEMBL4179516

SCHEMBL4179516

CCC(=O)NC(Cc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.58
▸ ACE P12821 1/20 0.58
▸ CA2 P00918 5/20 0.57
▸ CA1 P00915 3/20 0.57
▸ KDM6B O15054 1/20 0.55
▸ ALOX15 P16050 4/20 0.54
▸ KDM4E B2RXH2 3/20 0.54
▸ RECQL P46063 3/20 0.54
▸ HIF1A Q16665 3/20 0.54
▸ HSD17B10 Q99714 3/20 0.54
▸ LCK P06239 2/20 0.54
▸ USP2 O75604 2/20 0.54
▸ ADORA3 P0DMS8 2/20 0.54
▸ HTR2A P28223 2/20 0.54
▸ PTGS2 P35354 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ EGFR P00533 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ PTGS1 P23219 1/20 0.54
▸ SLC7A5 Q01650 1/20 0.54

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
SCHEMBL4179518 1.00 MME (0.58) MMEACECA2CA1KDM6B
SCHEMBL18619736 0.88 MME (0.56) MMEACECA2CA1KDM6B
SCHEMBL468823 0.86 MME (0.60) MMEACECA2CA1KDM6B
SCHEMBL9787629 0.86 MME (0.60) MMEACECA2CA1KDM6B
SCHEMBL29367167 0.86 MME (0.60) MMEACECA2CA1KDM6B
SCHEMBL328475 0.86 MME (0.60) MMEACECA2CA1KDM6B
SCHEMBL10099834 0.86 ALDH1A1 (0.55) MMEACECA2CA1KDM6B
SCHEMBL12978378 0.86 CA2 (0.61) MMEACECA2CA1KDM6B
SCHEMBL22473033 0.86 CA2 (0.61) MMEACECA2CA1KDM6B
SCHEMBL31355569 0.85 CA2 (0.57) MMEACECA2CA1KDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 — — US claimed
EP-1865953-A4 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J (US) 2008-04-30 — — EP claimed
EP-1865953-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF Yu, Ruey J., Dr. (US) 2007-12-19 — — EP claimed
WO-2006101940-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU, RUEY, J. (US) 2006-09-28 — — WO claimed
US-20060211754-A1 Compositions comprising N-propanoyl derivatives of amino acids, aminocarbohydrates and derivatives thereof YU RUEY J 2006-09-21 — — US claimed
US-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 — — US claimed
WO-2005055947-A2 ENLARGEMENT OF MUCOCUTANEOUS OR CUTANEOUS ORGANS AND SITES WITH TOPICAL COMPOSITIONS YU RUEY J (US) 2005-06-23 — — WO claimed
US-8119742-B2 Multi-armed catechol compound blends KNC NER ACQUISITION SUB, INC. (US) 2012-02-21 — — US disclosed
US-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS NERITES CORPORATION (US) 2010-05-06 — — US disclosed
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 — — US disclosed
EP-1865953-A4 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J (US) 2008-04-30 — — EP disclosed
EP-1865953-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF Yu, Ruey J., Dr. (US) 2007-12-19 — — EP disclosed
WO-2006101940-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU, RUEY, J. (US) 2006-09-28 — — WO disclosed
US-20060211754-A1 Compositions comprising N-propanoyl derivatives of amino acids, aminocarbohydrates and derivatives thereof YU RUEY J 2006-09-21 — — US disclosed
US-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 — — US disclosed
WO-2005055947-A2 ENLARGEMENT OF MUCOCUTANEOUS OR CUTANEOUS ORGANS AND SITES WITH TOPICAL COMPOSITIONS YU RUEY J (US) 2005-06-23 — — 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-20100113828-A1 MULTI-ARMED CATECHOL COMPOUND BLENDS COMT, HAAO, PNMT MME 203/4885ACE 1671/4885CA2 2233/4885

“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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