SCHEMBL3867643

SCHEMBL3867643

COc1ccc(C(=O)O)c2c3c(oc12)CCN(C(=O)OC(C)(C)C)C3c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE5A O76074 1/20 0.32
CCR5 P51681 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL15016097 0.87 MAPT (0.38) MAPTLMNAALDH1A1CA1CA2
SCHEMBL3873779 0.76 KMT2A (0.37) MAPTLMNAALDH1A1CA1CA2
SCHEMBL73073 0.73 ADORA1 (0.42) MAPTPDE4B
SCHEMBL73236 0.72 MAPT (0.43) MAPTLMNAALDH1A1
SCHEMBL73058 0.71 ADORA1 (0.43) MAPT
SCHEMBL72942 0.70 MAPT (0.42) MAPTLMNAALDH1A1
SCHEMBL15016096 0.70 LMNA (0.33) MAPTLMNAALDH1A1MAPK1NPSR1
SCHEMBL255550 0.67 ALDH1A1 (0.50) MAPTLMNAALDH1A1ACHEPDE5A
SCHEMBL1546476 0.64 ALDH1A1 (0.51) MAPTLMNAALDH1A1PDE5A
SCHEMBL25279026 0.64 ALDH1A1 (0.54) MAPTLMNAALDH1A1NPSR1PDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US claimed

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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A MAPT 1092/4885LMNA 4490/4885ALDH1A1 1591/4885

“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.