SCHEMBL18736542

SCHEMBL18736542

CC(C)(C)OC(=O)COc1cc(-c2cccc(C(=O)NCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)cc(OCC(=O)OC(C)(C)C)c1OCC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GIGYF2 Q6Y7W6 1/20 0.45
▸ SORT1 Q99523 1/20 0.45
▸ HPSE Q9Y251 1/20 0.45
▸ PKM P14618 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ NOXO1 Q8NFA2 1/20 0.44
▸ ITGB1 P05556 2/20 0.43
▸ ITGA4 P13612 2/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ FOLH1 Q04609 1/20 0.43

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
SCHEMBL18705338 0.97 ITGB1 (0.47) GIGYF2SORT1HPSEPKMCA12
SCHEMBL18736527 0.90 ADORA2A (0.51) GIGYF2SORT1HPSEPKMCA12
SCHEMBL18705361 0.90 ITGB1 (0.50) GIGYF2PKMCA12CA1CA2
SCHEMBL18736539 0.89 GIGYF2 (0.50) GIGYF2SORT1HPSEPKMCA12
SCHEMBL18736360 0.85 TDP1 (0.48) GIGYF2SORT1HPSEPKMCA12
SCHEMBL18736370 0.85 PKM (0.52) GIGYF2HPSEPKMCA12CA1
SCHEMBL18736359 0.84 ADORA2A (0.52) GIGYF2SORT1HPSEPKMCA12
SCHEMBL18736248 0.83 ADORA2A (0.53) GIGYF2SORT1HPSEPKMCA12
SCHEMBL18736330 0.81 CA12 (0.54) PKMCA12CA1CA2CA9
SCHEMBL23126001 0.80 LY6K (0.49) HPSEPKMCA12CA1CA2

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-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2021-12-02 — — US disclosed
US-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF Centauri Therapeutics Limited (GB/GB) (GB) 2021-12-02 — — US disclosed
US-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 — — US disclosed
US-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 — — US disclosed
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2018-10-04 — — US disclosed
WO-2017060729-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CENTAURI THERAPEUTICS LIMITED (GB) 2017-04-13 — — 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 (3 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-20210369850-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 GIGYF2 4247/4885SORT1 644/4885HPSE 762/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 GIGYF2 4247/4885SORT1 644/4885HPSE 762/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 GIGYF2 4247/4885SORT1 644/4885HPSE 762/4885

“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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