SCHEMBL6542273

SCHEMBL6542273

Nc1nc(CC(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(Sc4nnc(N)s4)CSC23)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 7/20 0.55
▸ LMNA P02545 3/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ MAPT P10636 4/20 0.44
▸ CTDSP1 Q9GZU7 2/20 0.44
▸ ABCC4 O15439 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ NR1I2 O75469 2/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ POLB P06746 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SLC22A6 Q4U2R8 2/20 0.43
▸ SLC22A8 Q8TCC7 2/20 0.43
▸ SLC22A11 Q9NSA0 2/20 0.43
▸ APAF1 O14727 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ APEX1 P27695 1/20 0.43

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
SCHEMBL8771238 0.93 TDP1 (0.55) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771242 0.93 TDP1 (0.55) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8770998 0.89 TDP1 (0.55) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8770984 0.89 TDP1 (0.55) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL11183173 0.88 TDP1 (0.68) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL11183181 0.88 TDP1 (0.68) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771017 0.87 TDP1 (0.53) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771030 0.87 TDP1 (0.53) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771123 0.86 MAPK1 (0.60) TDP1LMNAHSD17B10L3MBTL1MAPT
SCHEMBL8771107 0.86 TDP1 (0.50) TDP1LMNAHSD17B10L3MBTL1MAPT

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 TDP1 2967/4885LMNA 3499/4885HSD17B10 701/4885

“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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