SCHEMBL3115394

SCHEMBL3115394

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)N[C@@H](COC(C)(C)C)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.39
AGTR1 P30556 11/20 0.38
AGTR2 P50052 6/20 0.38
LTB4R2 Q9NPC1 5/20 0.38
ABCB11 O95342 1/20 0.36
GP6 Q9HCN6 1/20 0.36

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
SCHEMBL3123688 1.00 LPAR1 (0.39) LPAR1AGTR1AGTR2LTB4R2ABCB11
SCHEMBL3122151 0.90 AGTR1 (0.42) LPAR1AGTR1AGTR2LTB4R2ABCB11
SCHEMBL3122148 0.90 AGTR1 (0.42) LPAR1AGTR1AGTR2LTB4R2ABCB11
SCHEMBL3127027 0.82 LTB4R2 (0.45) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL3124967 0.81 LTB4R2 (0.44) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL3242593 0.81 LTB4R2 (0.44) AGTR1AGTR2LTB4R2ABCB11GP6
SCHEMBL3121370 0.79 HDAC6 (0.52) AGTR1AGTR2LTB4R2
SCHEMBL3124333 0.79 LTB4R2 (0.46) AGTR1AGTR2LTB4R2
SCHEMBL3948641 0.79 AGTR1 (0.39) AGTR1AGTR2LTB4R2
SCHEMBL3117096 0.78 HDAC6 (0.56) AGTR1AGTR2LTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673889-B2 BLT2-mediated disease, BLT2 binding agent and the compound ONO PHARMACEUTICAL CO., LTD. (JP) 2014-03-18 US disclosed
EP-2172222-A2 Novel BLT2-mediated disease, BLT2-binding agent and compound ONO PHARMACEUTICAL CO., LTD. (JP) 2010-04-07 EP disclosed
US-20080132574-A1 Novel Blt2-Mediated Disease, Blt2 Binding Agent And the Compound ONO PHARMACEUTICAL CO., LTD. (JP) 2008-06-05 US disclosed
EP-1745800-A1 NOVEL BLT2-MEDIATED DISEASE, AND BLT2 BINDING AGENT AND COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-24 EP 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-20080132574-A1 Novel Blt2-Mediated Disease, Blt2 Binding Agent And the Compound MALT1, SLC10A2, LCP2 LPAR1 679/4885AGTR1 996/4885AGTR2 979/4885

“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.