SCHEMBL5908060

SCHEMBL5908060

O=C(NC(C(=O)O)C(NC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.75
PPARG P37231 1/20 0.58
PPARA Q07869 1/20 0.58
CA1 P00915 3/20 0.54
HDAC3 O15379 1/20 0.54
CA12 O43570 1/20 0.54
IDO1 P14902 1/20 0.54
ALOX15 P16050 1/20 0.54
HDAC1 Q13547 1/20 0.54
CA9 Q16790 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
CTRB1 P17538 3/20 0.52
CA2 P00918 3/20 0.51

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
SCHEMBL1168551 0.88 SLC1A2 (0.66) SLC1A2PPARGPPARACA1LMNA
SCHEMBL9462009 0.88 SLC1A2 (0.66) SLC1A2PPARGPPARACA1LMNA
SCHEMBL1168553 0.88 SLC1A2 (0.66) SLC1A2PPARGPPARACA1LMNA
SCHEMBL1285965 0.86 CA2 (0.65) SLC1A2PPARGPPARACA1HPGD
SCHEMBL11057908 0.86 CA2 (0.65) SLC1A2PPARGPPARACA1HPGD
SCHEMBL1285967 0.86 CA2 (0.65) SLC1A2PPARGPPARACA1HPGD
SCHEMBL1509267 0.86 CA2 (0.65) SLC1A2PPARGPPARACA1HPGD
SCHEMBL10614356 0.85 SLC1A2 (0.62) SLC1A2PPARGPPARACA1HDAC3
SCHEMBL9831786 0.85 CA2 (0.71) SLC1A2PPARGPPARACA1LMNA
SCHEMBL10617210 0.85 SLC1A2 (0.62) SLC1A2PPARGPPARACA1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106525697-A Cell analyzer and cell analyzing method 希森美康株式会社 2017-03-22 CN disclosed
US-20060258784-A1 New compounds, a process for their preparation and their use as dyes and pigments ADAM JEAN-MARIE 2006-11-16 US disclosed
US-20060124014-A1 New heterocyclic compounds, a process for their preparation and their use as dyes and pigments CIBA SPECIALTY CHEMICALS CORP. 2006-06-15 US disclosed
EP-1603902-A1 NEW HETEROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYES AND PIGMENTS Ciba SC Holding AG (CH) 2005-12-14 EP disclosed
WO-2004089941-A1 NEW HETEROCYCLIC COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS DYES AND PIGMENTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-10-21 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-20060258784-A1 New compounds, a process for their preparation and their use as dyes and pigments IK, HCCS, SULT1A1 SLC1A2 2376/4885PPARG 1815/4885PPARA 2320/4885

“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.