SCHEMBL7587968

SCHEMBL7587968

COC(=O)CCCc1cccc(C(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.56
▸ CYP4A11 Q02928 3/20 0.56
▸ SLC7A5 Q01650 2/20 0.53
▸ LOXL2 Q9Y4K0 1/20 0.47
▸ FOLH1 Q04609 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL4197208 0.95 CYP4F2 (0.56) CYP4F2CYP4A11SLC7A5LOXL2FOLH1
SCHEMBL7536168 0.86 SLC7A5 (0.52) CYP4F2CYP4A11SLC7A5LOXL2FOLH1
SCHEMBL14415229 0.83 CYP4A11 (0.68) CYP4F2CYP4A11SLC7A5LOXL2FOLH1
SCHEMBL31068535 0.83 SLC7A5 (0.58) CYP4F2CYP4A11SLC7A5LOXL2FOLH1
SCHEMBL25961093 0.83 SLC7A5 (0.58) CYP4F2CYP4A11SLC7A5LOXL2
SCHEMBL29346854 0.83 SLC7A5 (0.58) CYP4F2CYP4A11SLC7A5LOXL2FOLH1
SCHEMBL18744852 0.82 SLC7A5 (0.56) CYP4F2CYP4A11SLC7A5LOXL2FOLH1
SCHEMBL31688987 0.82 SLC7A5 (0.60) CYP4F2CYP4A11SLC7A5LOXL2FOLH1
SCHEMBL19078989 0.82 CYP4F2 (0.54) CYP4F2CYP4A11SLC7A5LOXL2FOLH1
SCHEMBL19078994 0.82 CYP4F2 (0.54) CYP4F2CYP4A11SLC7A5LOXL2FOLH1

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 CYP4F2 275/4885CYP4A11 689/4885SLC7A5 3862/4885

“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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