SCHEMBL3040183

SCHEMBL3040183

COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 14/20 1.00
S1PR1 P21453 13/20 1.00
LTK P29376 1/20 0.72
TAOK1 Q7L7X3 1/20 0.72
S1PR4 O95977 1/20 0.55
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PRKX P51817 1/20 0.50
ACVR1 Q04771 1/20 0.50
HTR2A P28223 1/20 0.50
KCNH2 Q12809 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.50
FFAR1 O14842 1/20 0.49
HPGD P15428 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
SCHEMBL3034565 0.90 S1PR5 (1.00) S1PR5S1PR1LTKTAOK1S1PR4
SCHEMBL3037872 0.89 S1PR5 (0.79) S1PR5S1PR1LTKTAOK1S1PR4
SCHEMBL3047261 0.84 S1PR5 (1.00) S1PR5S1PR1LTKTAOK1PRKX
SCHEMBL3043859 0.82 S1PR5 (0.78) S1PR5S1PR1S1PR4PDCD1CD274
SCHEMBL3034906 0.81 S1PR5 (0.70) S1PR5S1PR1S1PR4PDCD1CD274
SCHEMBL3034899 0.81 S1PR5 (0.83) S1PR5S1PR1LTKTAOK1S1PR4
SCHEMBL3044130 0.80 S1PR5 (0.69) S1PR5S1PR1S1PR4PDCD1CD274
SCHEMBL3037760 0.79 S1PR5 (0.66) S1PR5S1PR1LTKTAOK1PDCD1
SCHEMBL3043977 0.78 S1PR1 (0.66) S1PR5S1PR1S1PR4
SCHEMBL11702978 0.78 S1PR1 (0.63) S1PR5S1PR1HTTCYP1A2CYP3A4

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
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
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 3/4885LTK 1170/4885

“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.