SCHEMBL9915465

SCHEMBL9915465

CCCCOc1cnc(C(=O)N2CC(C(=O)O)C2)cc1OCCCC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPC6 Q9Y210 9/20 0.47
S1PR1 P21453 8/20 0.44
S1PR5 Q9H228 7/20 0.44
S1PR3 Q99500 5/20 0.44
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL9915467 0.88 TRPC6 (0.48) TRPC6ALDH1A1HPGD
SCHEMBL14124857 0.79 TRPC6 (0.52) TRPC6S1PR1S1PR5
SCHEMBL9915449 0.79 S1PR1 (0.55) S1PR1S1PR5S1PR3
SCHEMBL9915360 0.78 KDM4E (0.47) ALDH1A1HPGD
SCHEMBL9915365 0.77 MAPT (0.44) TRPC6ALDH1A1HPGD
SCHEMBL9915498 0.74 KDM4E (0.44) TRPC6ALDH1A1HPGD
SCHEMBL9915414 0.73 TSHR (0.54) ALDH1A1HPGD
SCHEMBL9915408 0.70 EGLN1 (0.45) ALDH1A1HPGD
SCHEMBL9915460 0.68 CYP1A2 (0.38) TRPC6ALDH1A1HPGD
SCHEMBL9915472 0.68 BACE1 (0.41) TRPC6

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 TRPC6 1175/4885S1PR1 3300/4885S1PR5 2362/4885
US-20150148326-A1 Monobactams MGAM, MGAM2, BPGM TRPC6 1175/4885S1PR1 3300/4885S1PR5 2362/4885
US-20120302542-A1 MONOBACTAMS MGAM, MGAM2, BPGM TRPC6 1175/4885S1PR1 3300/4885S1PR5 2362/4885

“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.