SCHEMBL7536168

SCHEMBL7536168

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.52
▸ CYP4F2 P78329 3/20 0.51
▸ CYP4A11 Q02928 3/20 0.51
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MRGPRX4 Q96LA9 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ OR51E2 Q9H255 1/20 0.40
▸ TSHR P16473 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ F10 P00742 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ F2RL1 P55085 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ STAT3 P40763 1/20 0.37

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
SCHEMBL7587968 0.86 CYP4F2 (0.56) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1
SCHEMBL4197208 0.84 CYP4F2 (0.56) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1
SCHEMBL18045902 0.83 CYP4F2 (0.62) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1
SCHEMBL29346854 0.82 SLC7A5 (0.58) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1
SCHEMBL30873957 0.82 SLC7A5 (0.61) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1
SCHEMBL31068535 0.82 SLC7A5 (0.58) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1
SCHEMBL5382573 0.79 SLC7A5 (0.60) SLC7A5CYP4F2CYP4A11LOXL2ALDH1A1
SCHEMBL7505386 0.79 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL31487557 0.79 CYP4F2 (0.69) SLC7A5CYP4F2CYP4A11LOXL2MRGPRX4
SCHEMBL7504785 0.78 SLC7A5 (0.63) SLC7A5CYP4F2CYP4A11LOXL2STAT3

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-6414179-B1 USEFUL AGENTS IN THE TREATMENT OF INFLAMMATORY DISEASES SUCH AS ASTHMA, ARTHRITIS, INFLAMMATORY BOWEL DISEASE AND NEURODEGENERATIVE DISEASES BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 — — US disclosed
US-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2002-05-30 — — 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-20020065246-A1 Alpha-and beta- substituted trifluoromethyl ketones as phospholipase inhibitors PLA2G4B, PLA2G1B, PLA2R1 SLC7A5 4571/4885CYP4F2 991/4885CYP4A11 601/4885

“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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