SCHEMBL1885243

SCHEMBL1885243

CC(C)(Cc1ccccc1)C(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.56
CYP26A1 O43174 1/20 0.48
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MMP2 P08253 6/20 0.44
MMP3 P08254 4/20 0.44
TACR3 P29371 1/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GRN P28799 1/20 0.43
SORT1 Q99523 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL19435047 0.85 RIPK1 (0.76) RIPK1CYP26A1ATML3MBTL1ALDH1A1
SCHEMBL19435046 0.85 RIPK1 (0.76) RIPK1CYP26A1ATML3MBTL1ALDH1A1
SCHEMBL7820171 0.83 RIPK1 (0.55) RIPK1CYP26A1ATML3MBTL1ALDH1A1
SCHEMBL25590886 0.80 RIPK1 (0.67) RIPK1GRNSORT1
SCHEMBL20238063 0.77 ALDH1A1 (0.56) RIPK1CYP26A1ALDH1A1MMP3SMN1; SMN2
SCHEMBL20238311 0.77 ALDH1A1 (0.56) RIPK1CYP26A1ALDH1A1MMP3SMN1; SMN2
SCHEMBL8062915 0.77 ALDH1A1 (0.56) RIPK1CYP26A1ALDH1A1MMP3SMN1; SMN2
SCHEMBL1875590 0.76 GRN (0.53) RIPK1GRNSORT1MEN1KMT2A
SCHEMBL19435050 0.75 RIPK1 (0.64) RIPK1L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL17874097 0.75 RIPK1 (0.64) RIPK1L3MBTL1ALDH1A1MAPTSMN1; SMN2

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 1159/4885CYP26A1 2750/4885ATM 3633/4885

“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.