Sugi Predict

Sugi Predict / Compounds / SCHEMBL4870730

SCHEMBL4870730

SCHEMBL4870730

CCOC(=O)C1CCN(Cc2sc(NC(C)=O)nc2CCc2ccc(NC(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ AOC3 Q16853 4/20 0.37
▸ POLB P06746 1/20 0.36
▸ OGA O60502 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL4870723 1.00 KDM4E (0.39) KDM4ESMN1; SMN2NPC1KMT2AAOC3
SCHEMBL4876176 0.92 AOC3 (0.38) KMT2AAOC3OGAMEN1
SCHEMBL4876151 0.92 AOC3 (0.38) KMT2AAOC3OGAMEN1
SCHEMBL5550218 0.90 AOC3 (0.38) AOC3OGA
SCHEMBL5545461 0.90 AOC3 (0.38) AOC3OGA
SCHEMBL3932906 0.89 AOC3 (0.37) AOC3OGA
SCHEMBL3932912 0.89 AOC3 (0.37) AOC3OGA
SCHEMBL3940980 0.89 AOC3 (0.37) AOC3OGA
SCHEMBL3941993 0.89 AOC3 (0.37) AOC3OGA
SCHEMBL4869568 0.88 NPC1 (0.41) KDM4ESMN1; SMN2NPC1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608365-B1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE R TECH UENO LTD (JP) 2013-10-02 — — EP disclosed
US-7442715-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2008-10-28 — — US disclosed
US-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE SUCAMPO AG (CH) 2008-05-22 — — US disclosed
US-20060276521-A1 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-12-07 — — US disclosed
US-7125901-B2 Thiazole derivatives ASTELLAS PHARMA INC. (JP) 2006-10-24 — — US disclosed
US-20060229346-A1 Method for treating vascular hyperpermeable disease SUCAMPO AG (CH) 2006-10-12 — — US disclosed
US-20060128770-A1 Thiazole derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2006-06-15 — — US disclosed
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-12-23 — — 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 (5 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-20080119462-A1 METHOD FOR TREATING VASCULAR HYPERPERMEABLE DISEASE VCAM1, ICAM1, VAPB KDM4E 3439/4885SMN1; SMN2 3771/4885NPC1 549/4885
US-20060276521-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 KDM4E 3386/4885SMN1; SMN2 966/4885NPC1 476/4885
US-20060229346-A1 Method for treating vascular hyperpermeable disease VCAM1, VAPB, ICAM1 KDM4E 2818/4885SMN1; SMN2 3587/4885NPC1 466/4885
US-20060128770-A1 Thiazole derivatives VCAM1, ICAM1, TXNL1 KDM4E 3386/4885SMN1; SMN2 966/4885NPC1 476/4885
US-20040259923-A1 Compound useful as cellular adhesion protein and as antiedemic agent VCAM1, ICAM1, VAPB KDM4E 4108/4885SMN1; SMN2 1570/4885NPC1 324/4885

“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.