SCHEMBL3037852

SCHEMBL3037852

COc1cc(OCc2ccccc2)ccc1CN1CC(C(=O)O)C1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 14/20 0.76
S1PR1 P21453 14/20 0.76
PRKX P51817 2/20 0.72
ACVR1 Q04771 1/20 0.72
PRKD3 O94806 1/20 0.59
CDK7 P50613 1/20 0.59
JAK3 P52333 1/20 0.59
TNK2 Q07912 1/20 0.59
PDCD1 Q15116 2/20 0.59
CD274 Q9NZQ7 2/20 0.59
PDGFRA P16234 2/20 0.58
ROCK1 Q13464 1/20 0.58
IKBKE Q14164 1/20 0.57
PIM1 P11309 1/20 0.56
S1PR3 Q99500 1/20 0.55
S1PR4 O95977 1/20 0.54

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
SCHEMBL3044904 0.86 S1PR1 (1.00) S1PR5S1PR1PRKXACVR1PRKD3
SCHEMBL3040329 0.84 S1PR5 (1.00) S1PR5S1PR1PRKXACVR1PRKD3
SCHEMBL3041369 0.84 S1PR5 (0.77) S1PR5S1PR1PRKXACVR1PRKD3
SCHEMBL1873631 0.83 S1PR1 (0.82) S1PR5S1PR1S1PR3S1PR4
SCHEMBL3047297 0.81 S1PR5 (0.62) S1PR5S1PR1PRKXACVR1PDCD1
SCHEMBL3043859 0.80 S1PR5 (0.78) S1PR5S1PR1PDCD1CD274S1PR4
SCHEMBL3034496 0.80 S1PR5 (1.00) S1PR5S1PR1PRKXACVR1PDGFRA
SCHEMBL22083846 0.79 S1PR1 (0.60) S1PR5S1PR1PRKXPRKD3CDK7
SCHEMBL22084567 0.78 S1PR1 (0.61) S1PR5S1PR1PRKXPRKD3CDK7
SCHEMBL22083855 0.78 S1PR1 (0.53) S1PR5S1PR1PRKXACVR1PRKD3

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 11 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
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
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 S1PR5 1/4885S1PR1 3/4885PRKX 2082/4885

“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.