SCHEMBL2804614

SCHEMBL2804614

COC(=O)c1ccc(C(=O)c2c(C)n(CC3CO3)c3ccc(C(=O)O)cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER4 P35408 2/20 0.39
SCARB1 Q8WTV0 1/20 0.39
CNR1 P21554 1/20 0.39
HPGD P15428 1/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL2804383 0.82 GAA (0.40) GAAALDH1A1MAPTPKMHTT
SCHEMBL2805614 0.82 PLA2G2A (0.41) GAAALDH1A1MAPTPKMHTT
SCHEMBL9691642 0.78 CNR1 (0.49) ALDH1A1MAPTKDM4EHSD17B10TSHR
SCHEMBL9691513 0.76 CNR1 (0.65) CNR1
SCHEMBL2804613 0.74 CNR2 (0.57) SMN1; SMN2SCARB1CNR1
SCHEMBL2810904 0.66 NR4A2 (0.54) ALDH1A1KDM4ELMNASMN1; SMN2HPGD
SCHEMBL14122151 0.65 TDP1 (0.59) GAAALDH1A1MAPTPKMPPARG
SCHEMBL2810908 0.65 KDM4E (0.58) GAAALDH1A1MAPTKDM4EHSD17B10
SCHEMBL19228081 0.65 SRC (0.51) ALDH1A1MAPTLMNATSHRALOX15
SCHEMBL7608979 0.64 LOXL2 (0.54) GAAALDH1A1MAPTKDM4ELMNA

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 GAA 1064/4885ALDH1A1 791/4885MAPT 4523/4885

“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.