SCHEMBL19726067

SCHEMBL19726067

COc1ccc(COC(=O)C2=C(CCl)CS[C@@H]3[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)OC(C)(C)C)c4csc(NC(=O)OC(C)(C)C)n4)C(=O)N23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.45
▸ MAPT P10636 4/20 0.45
▸ PPARG P37231 2/20 0.45
▸ ALB P02768 1/20 0.45
▸ SLC22A6 Q4U2R8 1/20 0.45
▸ SLC22A8 Q8TCC7 1/20 0.45
▸ SLC22A11 Q9NSA0 1/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ PTGS1 P23219 2/20 0.45
▸ PGR P06401 2/20 0.45
▸ ESR1 P03372 2/20 0.45
▸ TDP1 Q9NUW8 5/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ APEX1 P27695 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ABCC4 O15439 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ POLB P06746 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
SCHEMBL8983035 1.00 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8983019 1.00 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL9848034 1.00 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL18467220 0.95 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL9742948 0.95 NR1I2 (0.44) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL18419623 0.95 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL18419624 0.95 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8983048 0.94 NR1I2 (0.51) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL8983045 0.94 NR1I2 (0.51) NR1I2MAPTPPARGALBSLC22A6
SCHEMBL12969278 0.93 NR1I2 (0.45) NR1I2MAPTPPARGALBSLC22A6

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
WO-2021147986-A1 CEPHALOSPORIN ANTIBACTERIAL COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF 上海森辉医药有限公司 2021-07-29 — — WO disclosed
US-20200316083-A1 ANTIBACTERIAL COMPOSITIONS WOCKHARDT LIMITED (IN) 2020-10-08 — — US disclosed
WO-2017216765-A1 ANTIBACTERIAL COMPOSITIONS WOCKHARDT LIMITED (IN) 2017-12-21 — — 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-20200316083-A1 ANTIBACTERIAL COMPOSITIONS CEL, ALPI, GUSB NR1I2 1764/4885MAPT 2183/4885PPARG 2574/4885

“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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