SCHEMBL3041986

SCHEMBL3041986

COc1cc(C(=O)Oc2ccc(CN3CC(C(=O)O)C3)cc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.57
CD274 Q9NZQ7 2/20 0.57
S1PR1 P21453 13/20 0.53
S1PR5 Q9H228 14/20 0.52
S1PR3 Q99500 4/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
HTR2A P28223 1/20 0.49
KCNH2 Q12809 1/20 0.49
SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL12057537 0.80 PDCD1 (0.57) PDCD1CD274S1PR1S1PR5
SCHEMBL177079 0.80 PDCD1 (0.57) PDCD1CD274S1PR1S1PR5
SCHEMBL177732 0.80 PDCD1 (0.57) PDCD1CD274S1PR1S1PR5
SCHEMBL15532870 0.79 S1PR5 (0.69) S1PR1S1PR5S1PR3HTR2AKCNH2
SCHEMBL3044230 0.76 S1PR5 (0.77) S1PR1S1PR5S1PR3HTR2AKCNH2
SCHEMBL3031356 0.75 S1PR5 (0.57) PDCD1CD274S1PR1S1PR5POLB
SCHEMBL3045265 0.74 PKM (0.53) S1PR1S1PR5S1PR3
SCHEMBL13974168 0.73 KMT2A (0.56) POLBALDH1A1MAPTCYP2C9
SCHEMBL10617966 0.73 MAPT (0.73) POLBALDH1A1MAPTCYP2C9
SCHEMBL13220850 0.73 S1PR5 (0.50) S1PR1S1PR5POLBALDH1A1MAPT

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 10 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

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 PDCD1 3953/4885CD274 2657/4885S1PR1 3/4885

“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.