Sugi Predict

Sugi Predict / Compounds / SCHEMBL23125947

SCHEMBL23125947

SCHEMBL23125947

CC(=O)NC1C(O)[C@H](O[C@@H]2OC(CO)[C@H](O)C(O[C@H]3OC(CO)[C@H](O)C(O)C3O)C2O)C(CO)O[C@H]1OCCCNC(=O)COc1cccc(-c2cc(OCC(=O)NCCCO[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO)[C@H](O)C(O[C@H]5OC(CO)[C@H](O)C(O)C5O)C4O)C(O)C3NC(C)=O)cc(C(=O)NCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDK P21741 4/20 0.53
▸ HPSE Q9Y251 2/20 0.53
▸ FGF1 P05230 1/20 0.53
▸ FGF2 P09038 1/20 0.53
▸ VEGFA P15692 1/20 0.53
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CAMK2B Q13554 1/20 0.40
▸ GIGYF2 Q6Y7W6 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ LGALS8 O00214 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS4 P56470 1/20 0.39
▸ EGFR P00533 2/20 0.38
▸ FOLH1 Q04609 1/20 0.38
▸ ITK Q08881 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ ITGB1 P05556 1/20 0.37

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
SCHEMBL23126071 0.96 HPSE (0.56) MDKHPSEFGF1FGF2VEGFA
SCHEMBL23126113 0.95 MDK (0.54) MDKHPSEFGF1FGF2VEGFA
SCHEMBL24067597 0.95 HPSE (0.56) MDKHPSEFGF1FGF2VEGFA
SCHEMBL20519908 0.95 HPSE (0.56) MDKHPSEFGF1FGF2VEGFA
SCHEMBL20519925 0.95 HPSE (0.56) MDKHPSEFGF1FGF2VEGFA
SCHEMBL24067580 0.95 HPSE (0.56) MDKHPSEFGF1FGF2VEGFA
SCHEMBL24067582 0.95 HPSE (0.56) MDKHPSEFGF1FGF2VEGFA
SCHEMBL23126139 0.95 HPSE (0.56) MDKHPSEFGF1FGF2VEGFA
SCHEMBL23126137 0.94 HPSE (0.58) MDKHPSEFGF1FGF2VEGFA
SCHEMBL23126118 0.94 MDK (0.54) MDKHPSEFGF1FGF2VEGFA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-10953100-B2 Compounds and therapeutic uses thereof CD47, MYD88, NFATC1 MDK 2412/4885HPSE 762/4885FGF1 4232/4885

“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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