SCHEMBL7586786

SCHEMBL7586786

COC(=O)C(O)CCc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.54
▸ CYP4F2 P78329 3/20 0.50
▸ CYP4A11 Q02928 3/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ FOLH1 Q04609 2/20 0.43
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ KLK5 Q9Y337 1/20 0.39
▸ ADRB2 P07550 2/20 0.39
▸ ADRB1 P08588 2/20 0.39
▸ ADRB3 P13945 2/20 0.39
▸ TSHR P16473 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
SCHEMBL30229422 0.79 SLC7A5 (0.77) SLC7A5CYP4F2CYP4A11LOXL2FOLH1
SCHEMBL29221365 0.79 SLC7A5 (0.77) SLC7A5CYP4F2CYP4A11LOXL2FOLH1
SCHEMBL29221367 0.79 SLC7A5 (0.77) SLC7A5CYP4F2CYP4A11LOXL2FOLH1
SCHEMBL5382573 0.78 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL31487557 0.78 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2FOLH1
SCHEMBL7505386 0.78 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2FOLH1
SCHEMBL7504785 0.77 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11LOXL2
SCHEMBL31487728 0.77 SLC7A5 (0.59) SLC7A5CYP4F2CYP4A11LOXL2FOLH1
SCHEMBL6171951 0.77 RAB9A (0.45) CYP4F2CYP4A11RAB9AL3MBTL1ALDH1A1
SCHEMBL7587968 0.77 CYP4F2 (0.56) SLC7A5CYP4F2CYP4A11LOXL2FOLH1

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
US-6492550-B2 INHIBITORS OF THE CYTOSOLIC PHOSPHOLYPASE A2 ENZYMES BRISTOL-MYERS SQUIBB COMPANY 2002-12-10 — — US disclosed
US-20020068722-A1 Alpha-substituted thio,-oxo trifluoromethylketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-06-06 — — US 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-20020068722-A1 Alpha-substituted thio,-oxo trifluoromethylketones as phospholipase inhibitors PLA2G4B, PLA2G4A, PLA2G1B SLC7A5 3862/4885CYP4F2 275/4885CYP4A11 689/4885

“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.

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