SCHEMBL6000617

SCHEMBL6000617

COC(=O)CCCOc1c(C(C)(C)C)cc(SC(C)(C)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C(C)(C)C

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 14/20 0.73
▸ ALOX15 P16050 4/20 0.54
▸ HPN P05981 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ SIRT5 Q9NXA8 1/20 0.54
▸ PTGS1 P23219 1/20 0.42
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40

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
Elsibucol SCHEMBL6002307 0.88 VCAM1 (0.73) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL13609378 0.88 VCAM1 (0.60) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8353439 0.87 VCAM1 (0.90) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14037559 0.84 VCAM1 (0.70) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042598 0.82 ALOX15 (0.62) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL14586319 0.81 VCAM1 (0.67) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL12042599 0.81 ALOX15 (0.60) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL5575964 0.81 ALOX15 (0.64) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL8243913 0.80 ALOX15 (0.58) VCAM1ALOX15HPNMAPTSIRT5
SCHEMBL6054982 0.80 VCAM1 (0.92) VCAM1ALOX15HPNMAPTSIRT5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189581-A1 Compounds and methods for treating transplant rejection ATHEROGENICS, INC. (US) 2006-08-24 — — US disclosed
US-7087645-B2 Compounds and methods for treating transplant rejection ATHEROGENICS, INC. (US) 2006-08-08 — — US disclosed
US-20040138147-A1 Compounds and methods for treating transplant rejection ATHEROGENICS, INC. 2004-07-15 — — US disclosed
US-6670398-B2 Assymetric derivatives of 2,2-bis(p-hydroxyphenylthio)propane ATHEROGENICS, INC. 2003-12-30 — — US disclosed
US-20030153536-A1 Phenylthioalkane compounds GLASS MITCHELL (US) 2003-08-14 — — US disclosed
US-20020156022-A1 Compounds and methods for treating transplant rejection CRABTREE ACQUISITION CO, LLC 2002-10-24 — — 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 (4 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-20020156022-A1 Compounds and methods for treating transplant rejection CD74, HLA-B, HLA-C VCAM1 905/4885ALOX15 402/4885HPN 3143/4885
US-20060189581-A1 Compounds and methods for treating transplant rejection HLA-B, HLA-C, CD74 VCAM1 1475/4885ALOX15 481/4885HPN 2501/4885
US-20030153536-A1 Phenylthioalkane compounds PBK, TST, NAT1 VCAM1 708/4885ALOX15 870/4885HPN 3313/4885
US-20040138147-A1 Compounds and methods for treating transplant rejection CD74, HLA-B, HLA-C VCAM1 905/4885ALOX15 402/4885HPN 3143/4885

“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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