SCHEMBL1890159

SCHEMBL1890159

CC(C)C(=O)N(Cc1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2A P28223 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRK1 P41145 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL12672069 0.84 MEN1 (0.46) HPGDMEN1KMT2AALOX5ALDH1A1
SCHEMBL1889181 0.82 MEN1 (0.47) HPGDMEN1KMT2AALOX5ALDH1A1
SCHEMBL1883194 0.82 MEN1 (0.56) HPGDMEN1KMT2AALOX5ALDH1A1
SCHEMBL7444247 0.82 MEN1 (0.56) HPGDMEN1KMT2AALOX5ALDH1A1
SCHEMBL28021443 0.82 LMNA (0.44) HPGDMEN1KMT2AALOX5ALDH1A1
SCHEMBL14442982 0.82 KMT2A (0.69) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL9716075 0.80 ALPI (0.49) HPGDMEN1KMT2ACYP1A2
SCHEMBL1885056 0.79 ALDH1A1 (0.54) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL547221 0.79 LMNA (0.49) HPGDMEN1KMT2AALDH1A1LMNA
SCHEMBL547202 0.79 LMNA (0.49) HPGDMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105567-A1 Pyrrole Compounds Having Sphingosine-1-Phosphate Receptor Agonist Or Antagonist Biological Activity ALLERGAN, INC. (US) 2011-05-05 US disclosed
EP-2185506-A1 PYRROLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST OR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2010-05-19 EP disclosed
WO-2009026407-A1 PYRROLE COMPOUNDS HAVING SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONIST OR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2009-02-26 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-20110105567-A1 Pyrrole Compounds Having Sphingosine-1-Phosphate Receptor Agonist Or Antagonist Biological Activity S1PR1, S1PR2, S1PR3 HPGD 1465/4885MEN1 3298/4885KMT2A 4539/4885

“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.