SCHEMBL18705312

SCHEMBL18705312

CC(C)(C)OC(=O)NCc1cccc(C(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.51
▸ CA1 P00915 4/20 0.51
▸ CA2 P00918 4/20 0.51
▸ CA9 Q16790 4/20 0.51
▸ PSEN1 P49768 2/20 0.49
▸ PSEN2 P49810 2/20 0.49
▸ APH1B Q8WW43 2/20 0.49
▸ NCSTN Q92542 2/20 0.49
▸ APH1A Q96BI3 2/20 0.49
▸ PSENEN Q9NZ42 2/20 0.49
▸ ITGB1 P05556 1/20 0.49
▸ ITGA4 P13612 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ TPSAB1 Q15661 1/20 0.47
▸ GIGYF2 Q6Y7W6 1/20 0.46
▸ ABL1 P00519 1/20 0.46

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
SCHEMBL20520178 0.88 CA12 (0.56) CA12CA1CA2CA9PSEN1
SCHEMBL18736485 0.85 CA12 (0.59) CA12CA1CA2CA9ITGB1
SCHEMBL30735993 0.84 TDP1 (0.61) CA12CA1CA2CA9ITGB1
SCHEMBL31135784 0.84 TDP1 (0.61) CA12CA1CA2CA9ITGB1
SCHEMBL31135781 0.84 TDP1 (0.61) CA12CA1CA2CA9ITGB1
Hydrochloric Acid SCHEMBL20520179 0.84 CA12 (0.58) CA12CA1CA2CA9ITGB1
SCHEMBL19960753 0.84 GIGYF2 (0.46) CA12CA1CA2CA9PSEN1
SCHEMBL18705331 0.83 CA12 (0.51) CA12CA1CA2CA9ITGB1
SCHEMBL21067002 0.83 SORT1 (0.46) CA12CA1CA2CA9PSEN1
SCHEMBL12319337 0.82 PKM (0.57) CA12CA1CA2CA9ITGB1

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 CA12 2887/4885CA1 4372/4885CA2 4521/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 CA12 2887/4885CA1 4372/4885CA2 4521/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 CA12 2887/4885CA1 4372/4885CA2 4521/4885

“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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