Sugi Predict

Sugi Predict / Compounds / SCHEMBL3403559

SCHEMBL3403559

SCHEMBL3403559

CCOC(=O)[C@@H](O)[C@H](O)c1ccnc2c(F)cc(OC)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.35
▸ CASP6 P55212 2/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PRNP P04156 1/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34

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
SCHEMBL5506908 0.78 SLC10A1 (0.38) LMNA
SCHEMBL3929993 0.76 ROCK2 (0.35) NSD2CASP6RAD52CASP7ROCK2
SCHEMBL3375908 0.73 KDM4E (0.44) ALDH1A1KDM4EMAPTMAPK1DPP4
SCHEMBL3375911 0.73 KDM4E (0.44) ALDH1A1KDM4EMAPTMAPK1DPP4
SCHEMBL24916220 0.72 DPP4 (0.45) ALDH1A1KDM4EMAPTHPGDTDP1
SCHEMBL3373217 0.72 CRHR1 (0.36) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL3452969 0.72 CRHR1 (0.36) ALDH1A1KDM4EHPGDTSHRTDP1
SCHEMBL7140533 0.72 KDM4E (0.35) NSD2CASP6RAD52CASP7KDM4E
SCHEMBL4275515 0.70 SLC2A1 (0.44) KDM4EMAPTTSHRMAPK1L3MBTL1
SCHEMBL4275507 0.70 SLC2A1 (0.44) KDM4EMAPTTSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987040-B1 ETHANOL OR 1,2-ETHANEDIOL CYCLOHEXYL ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-11-10 — — EP disclosed
US-7820655-B2 Ethanol or 1,2-ethanediol cyclohexyl antibiotic derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-26 — — US disclosed
US-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus ACTELION PHARMACEUTICALS LTD. (CH) 2009-01-01 — — 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-20090005368-A1 such as 6-({trans-4-[(1R)-1-hydroxy-2-(3-methoxy-quinolin-5-yl)-ethyl]-cyclohexylamino}-methyl)-4H-pyrido[3,2-b][1,4]thiazin-3-one for treating infections from Streptococcus pneumoniae, Haemophilus influenzae, Moraxella, Staphylococcus, Enterococcus RBPJ, RXRA, MRPL21 NSD2 2681/4885CASP6 2029/4885RAD52 533/4885

“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.