SCHEMBL6543292

SCHEMBL6543292

Cc1nnsc1SC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](NC(=O)C(=NOC(c3ccccc3)(c3ccccc3)c3ccccc3)c3nc(N)sc3Cl)C2SC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ HSD17B10 Q99714 6/20 0.37
▸ MAPT P10636 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ NR1I2 O75469 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ SLC15A2 Q16348 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ BLM P54132 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ LMNA P02545 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
SCHEMBL6543286 1.00 ALDH1A1 (0.37) ALDH1A1HSD17B10MAPTKDM4ETDP1
SCHEMBL6543035 0.92 NR1I2 (0.41) HSD17B10MAPTTDP1KMT2ANR1I2
SCHEMBL6543086 0.89 KCNH2 (0.39) ALDH1A1HSD17B10MAPTKDM4ETDP1
SCHEMBL6543084 0.89 KCNH2 (0.39) ALDH1A1HSD17B10MAPTKDM4ETDP1
SCHEMBL6541755 0.89 KCNH2 (0.38) ALDH1A1HSD17B10MAPTKDM4ETDP1
SCHEMBL6541751 0.89 KCNH2 (0.38) ALDH1A1HSD17B10MAPTKDM4ETDP1
SCHEMBL6542128 0.88 KCNH2 (0.39) ALDH1A1HSD17B10MAPTKDM4ETDP1
SCHEMBL6542123 0.88 KCNH2 (0.39) ALDH1A1HSD17B10MAPTKDM4ETDP1
SCHEMBL6541950 0.86 ALDH1A1 (0.48) ALDH1A1HSD17B10MAPTKDM4ETDP1
SCHEMBL6542342 0.85 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPTKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333836-A4 CEPHALOSPORIN ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS INC (US) 2004-07-07 — — EP disclosed
EP-1333836-A2 CEPHALOSPORIN ANTIBIOTICS AND PRODRUGS THEREOF Essential Therapeutics, Inc. (US) 2003-08-13 — — EP disclosed
US-6599893-B2 Such as (7R)-7-(2-(2-amino-5-chlorothiazol-4-yl)-2-trityl-oxyiminoacetylamino)-3-(4 -methyl-(1,2, 3)thiadiazol-5-ylsulfanyl)-8-oxo-5-thia-1-aza-bicyclo(4.2.0)oct-2-ene-2 -carboxylic acid benzhydryl ester; methicillin-resistance ESSENTIAL THERAPEUTICS, INC. 2003-07-29 — — US disclosed
US-20020115650-A1 Cephalosporin antibiotics and prodrugs thereof MICROCIDE PHARMACEUTICALS. 2002-08-22 — — US disclosed
WO-2002017854-A2 CEPHALOSPORIN ANTIBIOTICS AND PRODRUGS THEREOF ESSENTIAL THERAPEUTICS, INC. (US) 2002-03-07 — — 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 (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-20020115650-A1 Cephalosporin antibiotics and prodrugs thereof PEPD, ABCG2, ABCC1 ALDH1A1 1134/4885HSD17B10 701/4885MAPT 3278/4885

“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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