SCHEMBL2810907

SCHEMBL2810907

COC(=O)c1ccc(C(=O)c2c[nH]c3ccc(C(=O)OC)cc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.60
NR4A2 P43354 8/20 0.58
TP53 P04637 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CREBBP Q92793 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL4907150 0.93 GPR84 (0.63) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL27365216 0.89 NR4A2 (0.72) GPR84NR4A2TP53CREBBPRAB9A
SCHEMBL3931730 0.87 NR4A2 (0.60) GPR84NR4A2TP53CREBBPRAB9A
SCHEMBL4907106 0.86 GPR84 (0.58) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL3734053 0.85 NR4A2 (0.58) GPR84NR4A2TP53CREBBPRAB9A
SCHEMBL21439506 0.85 TP53 (0.74) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL31026078 0.83 NR4A2 (0.58) GPR84NR4A2TP53NPSR1CREBBP
SCHEMBL28984928 0.83 NR4A2 (0.58) GPR84NR4A2TP53NPSR1CREBBP
SCHEMBL14111892 0.82 GPR84 (0.57) GPR84NR4A2TP53SMN1; SMN2NPSR1
SCHEMBL7930178 0.82 MAPK1 (0.55) GPR84NR4A2TP53CREBBPRAB9A

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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 WESTFALISCHE WILHELMS UNIVERSITÄT MÜNSTER (DE) 2010-09-23 US disclosed
EP-2215059-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms-Universität Münster (DE) 2010-08-11 EP disclosed
WO-2009040314-A2 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVES, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 Westfälische Wilhelms Universität Münster (DE) 2009-04-02 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-20100240718-A1 NOVEL HETEROARYL-SUBSTITUTED ACETONE DERIVATIVE, SUITABLE FOR INHIBITING PHOSPHOLIPASE A2 PLD2, PLA2G1B, PLA2G4A GPR84 900/4885NR4A2 2170/4885TP53 2765/4885

“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.