SCHEMBL20869565

SCHEMBL20869565

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCc3ccc(OC)cc3)=C(CC(C)Cc3ccc(CCl)cc3)CS[C@H]12)c1nsc(N)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ NR1I2 O75469 4/20 0.46
▸ ALB P02768 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ SLC22A6 Q4U2R8 1/20 0.46
▸ SLC22A8 Q8TCC7 1/20 0.46
▸ SLC22A11 Q9NSA0 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ ABCC4 O15439 2/20 0.45
▸ PDE4A P27815 1/20 0.45
▸ TDP1 Q9NUW8 7/20 0.45
▸ HSD17B10 Q99714 5/20 0.45
▸ APEX1 P27695 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ PKM P14618 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45

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
SCHEMBL9587077 0.92 NR1I2 (0.51) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL9587073 0.92 NR1I2 (0.51) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL9781586 0.88 MAPT (0.50) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL9781582 0.88 MAPT (0.50) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL9016665 0.86 KCNH2 (0.53) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL9016668 0.86 KCNH2 (0.53) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL20886830 0.86 MAPT (0.48) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL20869566 0.86 MAPT (0.48) PTGS1ABCB11PDE4DMAPTNR1I2
SCHEMBL8180829 0.84 MAPT (0.47) PTGS1ABCB11PDE4DMAPTNR1I2
Iodide SCHEMBL9781606 0.83 NR1I2 (0.46) PTGS1ABCB11PDE4DMAPTNR1I2

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-20190100534-A1 Cephem Compounds with Latent Reactive Groups GLADIUS PHARMACEUTICALS INC (CA) 2019-04-04 — — 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-20190100534-A1 Cephem Compounds with Latent Reactive Groups PGLS, GNE, COMT PTGS1 1368/4885ABCB11 2792/4885PDE4D 2462/4885

“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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