SCHEMBL18736286

SCHEMBL18736286

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LY6K Q17RY6 1/20 0.51
▸ ITGB1 P05556 1/20 0.49
▸ ITGA4 P13612 1/20 0.49
▸ TDP1 Q9NUW8 4/20 0.49
▸ FOLH1 Q04609 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ GBA1 P04062 1/20 0.48
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ PKM P14618 2/20 0.47
▸ HPSE Q9Y251 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ IDE P14735 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ RIN1 Q13671 1/20 0.47

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
SCHEMBL23126001 0.91 LY6K (0.49) LY6KITGB1ITGA4TDP1FOLH1
SCHEMBL18736361 0.90 HPSE (0.52) LY6KTDP1FOLH1KEAP1GBA1
SCHEMBL18705310 0.88 CA12 (0.53) LY6KTDP1FOLH1KEAP1GBA1
SCHEMBL18736482 0.80 GIGYF2 (0.53) ITGB1ITGA4TDP1FOLH1KEAP1
SCHEMBL18705313 0.80 TDP1 (0.56) TDP1FOLH1KEAP1CA12CA1
SCHEMBL18736244 0.80 TDP1 (0.56) ITGB1ITGA4TDP1FOLH1CA12
SCHEMBL18705361 0.79 ITGB1 (0.50) ITGB1ITGA4TDP1FOLH1CA12
SCHEMBL18736245 0.79 CA12 (0.57) ITGB1ITGA4TDP1KEAP1CA12
SCHEMBL24067620 0.77 P2RY12 (0.55) —
SCHEMBL18736288 0.77 ADORA2A (0.53) ITGB1ITGA4TDP1FOLH1KEAP1

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 LY6K 44/4885ITGB1 3324/4885ITGA4 3213/4885
US-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 LY6K 44/4885ITGB1 3324/4885ITGA4 3213/4885
US-20180280521-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF CD47, MYD88, NFATC1 LY6K 44/4885ITGB1 3324/4885ITGA4 3213/4885

“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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