SCHEMBL18705361

SCHEMBL18705361

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.50
▸ ITGA4 P13612 1/20 0.50
▸ TDP1 Q9NUW8 4/20 0.48
▸ FOLH1 Q04609 1/20 0.48
▸ CA12 O43570 3/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ CA9 Q16790 3/20 0.47
▸ NOXO1 Q8NFA2 1/20 0.46
▸ PKM P14618 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ IDE P14735 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RIN1 Q13671 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ GIGYF2 Q6Y7W6 1/20 0.45
▸ KDM1A O60341 1/20 0.45

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 0.93 ITGB1 (0.47) ITGB1ITGA4TDP1FOLH1CA12
SCHEMBL18736542 0.90 GIGYF2 (0.45) ITGB1ITGA4TDP1FOLH1CA12
SCHEMBL18736288 0.90 ADORA2A (0.53) ITGB1ITGA4TDP1FOLH1CA12
SCHEMBL18736539 0.89 GIGYF2 (0.50) FOLH1CA12CA1CA2CA9
SCHEMBL18736370 0.87 PKM (0.52) ITGB1ITGA4TDP1CA12CA1
SCHEMBL18736482 0.87 GIGYF2 (0.53) ITGB1ITGA4TDP1FOLH1CA12
SCHEMBL18736330 0.84 CA12 (0.54) ITGB1ITGA4TDP1CA12CA1
SCHEMBL18705346 0.84 TDP1 (0.53) ITGB1ITGA4TDP1FOLH1CA12
SCHEMBL18736525 0.83 ADORA2A (0.53) ITGB1ITGA4TDP1CA12CA1
SCHEMBL18705313 0.82 TDP1 (0.56) TDP1FOLH1CA12CA1CA2

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 7 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
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 ITGB1 3324/4885ITGA4 3213/4885TDP1 2823/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 ITGB1 3324/4885ITGA4 3213/4885TDP1 2823/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 ITGB1 3324/4885ITGA4 3213/4885TDP1 2823/4885

“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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