SCHEMBL948230

SCHEMBL948230

CC(=O)OC(=O)C1CN(CCCc2ccc(OCCCc3ccccc3)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 8/20 0.53
S1PR3 Q99500 3/20 0.53
LTA4H P09960 4/20 0.50
FFAR1 O14842 2/20 0.50
SIGMAR1 Q99720 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
HTR2A P28223 1/20 0.49
HTR7 P34969 1/20 0.49
OPRM1 P35372 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
S1PR5 Q9H228 1/20 0.46
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
Acetic Acid SCHEMBL948229 0.87 S1PR1 (0.64) S1PR1S1PR3LTA4HFFAR1SIGMAR1
SCHEMBL947836 0.80 LTA4H (0.64) S1PR1S1PR3LTA4HFFAR1KDM4E
SCHEMBL947855 0.78 KDM4E (0.62) S1PR1S1PR3LTA4HKDM4EKMT2A
SCHEMBL947218 0.77 LTA4H (0.74) S1PR1S1PR3LTA4HFFAR1SIGMAR1
SCHEMBL18593785 0.73 S1PR1 (0.67) S1PR1S1PR3SIGMAR1HTR2AOPRM1
SCHEMBL5174903 0.72 LTA4H (0.74) S1PR1S1PR3LTA4HFFAR1HTR2A
SCHEMBL5943702 0.71 S1PR5 (0.73) S1PR1S1PR3KDM4ES1PR5
SCHEMBL5175537 0.71 LTA4H (0.80) S1PR1S1PR3LTA4HSIGMAR1KDM4E
SCHEMBL5175350 0.70 LTA4H (0.82) S1PR1LTA4HKDM4EALDH1A1
SCHEMBL3720953 0.70 S1PR5 (0.76) S1PR1S1PR3LTA4HFFAR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2883865-A1 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-06-17 EP disclosed
US-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2014-09-25 US disclosed
US-8791159-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-07-29 US disclosed
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD (JP) 2011-01-27 US disclosed
US-7825109-B2 Compound capable of binding S1P receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-11-02 US disclosed
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof ONO PHARMACEUTICAL CO., LTD (JP) 2007-07-19 US disclosed
EP-1661881-A2 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 EP 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 (3 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-20140288034-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885LTA4H 427/4885
US-20070167425-A1 Compound capable of binding s1p receptor and pharmaceutical use thereof S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885LTA4H 697/4885
US-20110020324-A1 COMPOUND CAPABLE OF BINDING S1P RECEPTOR AND PHARMACEUTICAL USE THEREOF S1PR1, S1PR3, S1PR2 S1PR1 1/4885S1PR3 2/4885LTA4H 697/4885

“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.