SCHEMBL9915449

SCHEMBL9915449

CCCCOc1cnc(CN2CC(C(=O)O)C2)cc1OCCCC

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 15/20 0.55
S1PR5 Q9H228 12/20 0.55
S1PR3 Q99500 7/20 0.54
S1PR4 O95977 1/20 0.46

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
SCHEMBL9915450 0.88 S1PR1 (0.42) S1PR1S1PR5S1PR3
SCHEMBL14124906 0.80 S1PR5 (0.61) S1PR1S1PR5S1PR3
SCHEMBL9915465 0.79 TRPC6 (0.47) S1PR1S1PR5S1PR3
SCHEMBL3031791 0.76 S1PR1 (0.65) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3043977 0.74 S1PR1 (0.66) S1PR1S1PR5S1PR3S1PR4
SCHEMBL9915365 0.73 MAPT (0.44)
SCHEMBL3031896 0.73 S1PR5 (0.95) S1PR1S1PR5S1PR3S1PR4
SCHEMBL3033631 0.72 S1PR5 (0.68) S1PR1S1PR5S1PR3S1PR4
SCHEMBL14124885 0.71 S1PR5 (0.49) S1PR1S1PR5
SCHEMBL9915360 0.71 KDM4E (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148326-A1 Monobactams PFIZER (US) 2015-05-28 US disclosed
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed
US-20130252935-A1 Monobactams PFIZER INC. (US) 2013-09-26 US disclosed
US-20120302542-A1 MONOBACTAMS PFIZER INC 2012-11-29 US disclosed
WO-2012073138-A1 MONOBACTAMS PFIZER INC. (US) 2012-06-07 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 (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-20130252935-A1 Monobactams MGAM, MGAM2, BPGM S1PR1 3300/4885S1PR5 2362/4885S1PR3 3452/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM S1PR1 3300/4885S1PR5 2362/4885S1PR3 3452/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM S1PR1 3300/4885S1PR5 2362/4885S1PR3 3452/4885

“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.