SCHEMBL3040879

SCHEMBL3040879

C[Si](C)(C)C#Cc1ccc(CNCCCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.54
S1PR3 Q99500 2/20 0.54
S1PR2 O95136 1/20 0.54
ALDH1A1 P00352 1/20 0.51
FFAR1 O14842 9/20 0.44
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
FFAR4 Q5NUL3 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
FOLH1 Q04609 2/20 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
SCHEMBL3038153 0.86 FFAR1 (0.42) FFAR1FFAR4
SCHEMBL18642578 0.78 FFAR1 (0.66) S1PR1FFAR1FFAR4
SCHEMBL5958393 0.77 CYP1A2 (0.44) FFAR1
SCHEMBL3986750 0.76 GAA (0.57) ALDH1A1
SCHEMBL3447198 0.76 FFAR1 (0.65) ALDH1A1FFAR1FFAR4
SCHEMBL3040217 0.76 ALDH1A1 (0.38) ALDH1A1FFAR1
SCHEMBL3038092 0.76 S1PR2 (0.40) S1PR1S1PR3S1PR2ALDH1A1FFAR1
SCHEMBL3038096 0.76 S1PR2 (0.40) S1PR1S1PR3S1PR2ALDH1A1FFAR1
SCHEMBL30707909 0.75 LOXL2 (0.36) ALDH1A1
SCHEMBL864629 0.74 HDAC3 (0.65) S1PR1S1PR3S1PR2ALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102387704-A Agonists and antagonists of the S1P5 receptor, and methods of uses thereof ABBOTT LAB 2012-03-21 CN claimed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP claimed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US claimed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 WO claimed
CN-102387704-A Agonists and antagonists of the S1P5 receptor, and methods of uses thereof ABBOTT LAB 2012-03-21 CN disclosed
EP-2395835-A1 AGONISTS AND ANTAGONISTS OF THE SIP5 RECEPTOR, AND METHODS OF USES THEREOF Abbott Laboratories (US) 2011-12-21 EP disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
US-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof ABBOTT LABORATORIES (US) 2010-08-26 US disclosed
WO-2010093704-A1 AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF ABBOTT LABORATORIES (US) 2010-08-19 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-20100216762-A1 Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof S1PR5, LPAR5, S1PR1 S1PR1 3/4885S1PR3 5/4885S1PR2 6/4885

“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.