SCHEMBL20520171

SCHEMBL20520171

COc1cc(-c2cccc(N(C=O)CCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)cc(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.49
▸ RNF168 Q8IYW5 1/20 0.47
▸ CA12 O43570 4/20 0.46
▸ CA1 P00915 4/20 0.46
▸ CA2 P00918 4/20 0.46
▸ CA9 Q16790 4/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ITGB1 P05556 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ PRSS2 P07478 1/20 0.44
▸ PRSS3 P35030 1/20 0.44
▸ TPSAB1 Q15661 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ KDM1A O60341 5/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ FLT4 P35916 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL20519817 0.88 CA12 (0.51) PKMCA12CA1CA2CA9
SCHEMBL18736370 0.84 PKM (0.52) PKMRNF168CA12CA1CA2
SCHEMBL18705361 0.72 ITGB1 (0.50) PKMCA12CA1CA2CA9
SCHEMBL10036929 0.72 TDP1 (0.69) PKMCA12CA1CA2CA9
SCHEMBL10063351 0.72 TDP1 (0.69) PKMCA12CA1CA2CA9
SCHEMBL24179756 0.72 TDP1 (0.69) PKMCA12CA1CA2CA9
SCHEMBL22560803 0.72 TDP1 (0.69) PKMCA12CA1CA2CA9
SCHEMBL26551954 0.72 TDP1 (0.69) PKMCA12CA1CA2CA9
SCHEMBL12735634 0.72 TDP1 (0.69) PKMCA12CA1CA2CA9
SCHEMBL9412852 0.72 TDP1 (0.74) PKMCA12CA1CA2CA9

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 5 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

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 PKM 2743/4885RNF168 1020/4885CA12 2887/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 PKM 2743/4885RNF168 1020/4885CA12 2887/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 PKM 2743/4885RNF168 1020/4885CA12 2887/4885

“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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