SCHEMBL4964865

SCHEMBL4964865

O=C(O)N(CC/C(=N\O)NO)Cc1ccc2cc(OCCCc3ccccc3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
S1PR1 P21453 5/20 0.43
S1PR3 Q99500 3/20 0.43
HDAC1 Q13547 2/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
ACHE P22303 2/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
S1PR5 Q9H228 1/20 0.39
BCHE P06276 1/20 0.39
SLC2A1 P11166 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4964871 1.00 FFAR1 (0.45) FFAR1S1PR1S1PR3HDAC1MTNR1A
SCHEMBL452896 0.88 MTNR1A (0.41) FFAR1S1PR1S1PR3HDAC1MTNR1A
SCHEMBL4960491 0.86 FFAR1 (0.46) FFAR1S1PR1S1PR3HDAC1MTNR1A
Hydrochloric Acid SCHEMBL447699 0.79 PPARG (0.49) FFAR1S1PR1S1PR3HDAC1HDAC3
Hydrochloric Acid SCHEMBL447700 0.79 PPARG (0.49) FFAR1S1PR1S1PR3HDAC1HDAC3
SCHEMBL5175470 0.79 CA12 (0.51) FFAR1S1PR1S1PR3MTNR1AMTNR1B
SCHEMBL452897 0.78 MTNR1A (0.38) FFAR1S1PR1S1PR3HDAC1MTNR1A
SCHEMBL452860 0.75 MTNR1A (0.44) FFAR1S1PR1S1PR3HDAC1MTNR1A
SCHEMBL4964226 0.72 PLA2G2A (0.41) FFAR1ACHECYSLTR1BCHESLC2A1
SCHEMBL950286 0.72 FFAR1 (0.57) FFAR1S1PR1S1PR3ACHES1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653305-B2 Compound having S1P receptor binding potency and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-28 US disclosed
EP-1760071-A1 COMPOUND HAVING S1P RECEPTOR BINDING POTENCY AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-03-07 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 (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-20080207584-A1 Compound Having S1P Receptor Binding Potency and Use Thereof S1PR1, EDNRA, S1PR3 FFAR1 57/4885S1PR1 1/4885S1PR3 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.