SCHEMBL3045265

SCHEMBL3045265

O=C(Oc1ccc(CN2CC(C(=O)O)C2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.53
S1PR5 Q9H228 12/20 0.53
MGLL Q99685 1/20 0.51
S1PR1 P21453 9/20 0.49
S1PR3 Q99500 4/20 0.48
HGFAC Q04756 1/20 0.48

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
SCHEMBL13220850 0.87 S1PR5 (0.50) KMT2AS1PR5S1PR1
SCHEMBL13258705 0.80 S1PR5 (0.49) S1PR5S1PR1S1PR3
SCHEMBL28796318 0.78 S1PR5 (0.53) S1PR5S1PR1S1PR3
SCHEMBL3897760 0.78 KMT2A (0.67) PKMKMT2AHGFAC
SCHEMBL542043 0.77 KMT2A (0.84) PKMKMT2AHGFAC
SCHEMBL4951809 0.77 KMT2A (0.84) PKMKMT2AHGFAC
SCHEMBL10636579 0.77 KMT2A (0.84) PKMKMT2AHGFAC
SCHEMBL18434657 0.77 KMT2A (0.84) PKMKMT2AHGFAC
SCHEMBL22398685 0.76 KMT2A (0.68) PKMKMT2AHGFAC
SCHEMBL8202880 0.74 KMT2A (0.74) PKMKMT2AHGFAC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 PKM 1428/4885KMT2A 1154/4885S1PR5 1/4885

“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.