SCHEMBL534958

SCHEMBL534958

CC1(C)OB(c2ccccc2CCN(Cc2ccccc2)C(=O)O)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.39
CXCR2 P25025 2/20 0.39
LMNA P02545 1/20 0.38
LIPG Q9Y5X9 2/20 0.38
RCE1 Q9Y256 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
LPL P06858 1/20 0.35

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
SCHEMBL4463319 0.81 LIPG (0.51) LIPGRCE1L3MBTL1MEN1KMT2A
SCHEMBL23536625 0.78 CXCR2 (0.39) CXCR2LIPGMEN1KMT2ALPL
SCHEMBL902458 0.77 LIPG (0.49) NPSR1CXCR2LIPGLPL
SCHEMBL2377873 0.75 CXCR2 (0.37) CXCR2LIPGMEN1KMT2ALPL
SCHEMBL16501882 0.75 HSD17B10 (0.41) NPSR1LMNALIPGL3MBTL1MEN1
SCHEMBL16501886 0.75 KMT2A (0.45) LMNALIPGL3MBTL1MEN1KMT2A
SCHEMBL4158920 0.74 AKR1B1 (0.46) CXCR2LIPGLPL
SCHEMBL3670995 0.74 CXCR2 (0.44) CXCR2LIPGLPL
SCHEMBL29107963 0.74 CYSLTR2 (0.44) CXCR2LIPG
SCHEMBL22717876 0.73 CXCR2 (0.42) CXCR2LIPGLPL

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-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
WO-2011057382-A1 SPIROCYCLIC PIPERIDINE DERIVATIVES USEFUL AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2011-05-19 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 (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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 NPSR1 1441/4885CXCR2 2500/4885LMNA 1880/4885

“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.