SCHEMBL3043859

SCHEMBL3043859

COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 6/20 0.78
S1PR1 P21453 4/20 0.78
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
NPC1 O15118 5/20 0.69
RAB9A P51151 4/20 0.69
S1PR4 O95977 1/20 0.67
PDCD1 Q15116 1/20 0.62
CD274 Q9NZQ7 1/20 0.62
PKM P14618 1/20 0.59
MAPK1 P28482 1/20 0.58
HSD17B10 Q99714 1/20 0.58

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
SCHEMBL3038130 0.93 S1PR5 (0.80) S1PR5S1PR1MEN1KMT2ANPC1
SCHEMBL3034906 0.92 S1PR5 (0.70) S1PR5S1PR1MEN1KMT2ANPC1
SCHEMBL3044130 0.91 S1PR5 (0.69) S1PR5S1PR1MEN1KMT2ANPC1
SCHEMBL3037872 0.91 S1PR5 (0.79) S1PR5S1PR1MEN1KMT2ANPC1
SCHEMBL3031518 0.90 S1PR5 (0.72) S1PR5S1PR1MEN1KMT2ANPC1
SCHEMBL3034565 0.88 S1PR5 (1.00) S1PR5S1PR1MEN1KMT2ANPC1
SCHEMBL3047297 0.87 S1PR5 (0.62) S1PR5S1PR1MEN1KMT2ANPC1
SCHEMBL3040314 0.85 S1PR5 (0.76) S1PR5S1PR1S1PR4PDCD1CD274
SCHEMBL3039409 0.85 S1PR5 (1.00) S1PR5S1PR1S1PR4PDCD1CD274
SCHEMBL3043977 0.84 S1PR1 (0.66) S1PR5S1PR1S1PR4

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 3/4885MEN1 1608/4885

“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.