SCHEMBL1883138

SCHEMBL1883138

CC(CNC(=O)C(C)(C)Cc1ccccc1)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.47
MMP8 P22894 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
TRPA1 O75762 1/20 0.40
POLB P06746 1/20 0.39
LTA4H P09960 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL1875591 0.76 RIPK1 (0.51) RIPK1MMP8MAPTPOLBNPC1
SCHEMBL1885243 0.74 RIPK1 (0.56) RIPK1SMN1; SMN2GRNSORT1ALDH1A1
SCHEMBL4693177 0.73 GRN (0.48) RIPK1SMN1; SMN2GRNSORT1MEN1
SCHEMBL6020777 0.73 RIPK1 (0.51) RIPK1MMP8
SCHEMBL1875590 0.73 GRN (0.53) RIPK1GRNSORT1MEN1KMT2A
SCHEMBL1287197 0.72 HTT (0.55) SMN1; SMN2
SCHEMBL1878841 0.71 MMP8 (0.53) RIPK1MMP8ALDH1A1MAPTPOLB
SCHEMBL8945836 0.71 OPRK1 (0.41) RIPK1MMP8ALDH1A1MAPTOPRK1
SCHEMBL8945920 0.70 MMP1 (0.42) RIPK1MMP8SMN1; SMN2MAPTOPRK1
SCHEMBL6017676 0.70 MMP8 (0.67) RIPK1MMP8ALDH1A1MEN1MAPT

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 RIPK1 1159/4885MMP8 1297/4885SMN1; SMN2 2342/4885

“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.