SCHEMBL5117520

SCHEMBL5117520

CC(C)(C)c1ccc(N2CCN(c3ccc(CN4CC(C(=O)O)C4)cc3)C2=O)cc1.COC(=O)c1ccc(NC(=O)NCCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.43
S1PR4 O95977 3/20 0.43
S1PR5 Q9H228 3/20 0.43
POLB P06746 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CNR1 P21554 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 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
SCHEMBL3558484 0.81 S1PR1 (0.60) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3556762 0.76 S1PR1 (0.56) S1PR1S1PR4S1PR5S1PR3RAB9A
SCHEMBL3552039 0.74 CA1 (0.50) SMN1; SMN2MAPTALDH1A1KDM4EMEN1
SCHEMBL3550945 0.73 HDAC1 (0.63) ALDH1A1RAB9AMEN1KMT2ACA1
SCHEMBL3552008 0.72 S1PR5 (0.51) S1PR1S1PR4S1PR5S1PR3
SCHEMBL3557866 0.71 MAPT (0.59) POLBMAPK1SMN1; SMN2MAPTALDH1A1
SCHEMBL13242411 0.71 S1PR5 (0.74) S1PR1S1PR4S1PR5S1PR3
SCHEMBL598010 0.70 CNR1 (0.66) MAPK1SMN1; SMN2MAPTKDM4ERAB9A
SCHEMBL5113802 0.69 S1PR5 (0.50) S1PR1S1PR4S1PR5S1PR3
SCHEMBL14423042 0.68 S1PR5 (0.54) S1PR1S1PR4S1PR5S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US 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-20080015177-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR2, S1PR5 S1PR1 1/4885S1PR4 5/4885S1PR5 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.