SCHEMBL23126001

SCHEMBL23126001

CC(C)(C)OC(=O)COc1cc(C(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LY6K Q17RY6 1/20 0.49
▸ HPSE Q9Y251 1/20 0.47
▸ GBA1 P04062 1/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ FLT1 P17948 2/20 0.45
▸ FLT4 P35916 2/20 0.45
▸ KDR P35968 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ ADORA2A P29274 1/20 0.45
▸ ADORA2B P29275 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
▸ FOLH1 Q04609 1/20 0.44
▸ ITGB1 P05556 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ F2 P00734 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
SCHEMBL18736286 0.91 LY6K (0.51) LY6KHPSEGBA1KEAP1FLT1
SCHEMBL18736361 0.89 HPSE (0.52) LY6KHPSEGBA1KEAP1FLT1
SCHEMBL18705310 0.84 CA12 (0.53) LY6KGBA1KEAP1TDP1SLC6A4
SCHEMBL18736248 0.81 ADORA2A (0.53) HPSEKEAP1TDP1ADORA2AADORA2B
SCHEMBL18736542 0.80 GIGYF2 (0.45) HPSETDP1ADORA2AADORA2BPKM
SCHEMBL18705338 0.80 ITGB1 (0.47) LY6KHPSETDP1PKMCA12
SCHEMBL18736360 0.79 TDP1 (0.48) HPSETDP1ADORA2AADORA2BPKM
SCHEMBL18736527 0.79 ADORA2A (0.51) HPSETDP1ADORA2AADORA2BPKM
SCHEMBL18736522 0.78 ADORA2A (0.46) HPSETDP1ADORA2AADORA2BPKM
SCHEMBL18736359 0.78 ADORA2A (0.52) HPSETDP1ADORA2AADORA2BPKM

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 2 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-10953100-B2 Compounds and therapeutic uses thereof CENTUARI THERAPEUTICS LIMITED (GB/GB) (GB) 2021-03-23 — — 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 (2 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 LY6K 44/4885HPSE 762/4885GBA1 118/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 LY6K 44/4885HPSE 762/4885GBA1 118/4885

“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.

Send feedback