SCHEMBL18939131

SCHEMBL18939131

CC(C)(C)OC(=O)Nc1nc(/C(=N/OC(C)(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CCl)CS[C@H]23)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ PPARG P37231 3/20 0.52
▸ PGR P06401 3/20 0.52
▸ ESR1 P03372 2/20 0.52
▸ MAPT P10636 3/20 0.52
▸ SLC22A6 Q4U2R8 2/20 0.52
▸ SLC22A8 Q8TCC7 2/20 0.52
▸ SLC22A11 Q9NSA0 2/20 0.52
▸ ALB P02768 1/20 0.52
▸ TDP1 Q9NUW8 6/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ KMT2A Q03164 1/20 0.46
▸ DAO P14920 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ CYP2J2 P51589 1/20 0.46
▸ APEX1 P27695 3/20 0.46
▸ APAF1 O14727 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL18939132 1.00 NR1I2 (0.53) NR1I2HTR2CPPARGPGRESR1
SCHEMBL13585052 0.92 NR1I2 (0.63) NR1I2HTR2CPPARGPGRESR1
SCHEMBL13585050 0.92 NR1I2 (0.63) NR1I2HTR2CPPARGPGRESR1
SCHEMBL15495375 0.91 NR1I2 (0.64) NR1I2HTR2CPPARGPGRESR1
SCHEMBL15991695 0.90 NR1I2 (0.48) NR1I2HTR2CPPARGPGRESR1
SCHEMBL18467327 0.90 NR1I2 (0.48) NR1I2HTR2CPPARGPGRESR1
SCHEMBL15991693 0.90 NR1I2 (0.48) NR1I2HTR2CPPARGPGRESR1
SCHEMBL15991697 0.90 NR1I2 (0.48) NR1I2HTR2CPPARGPGRESR1
SCHEMBL9204298 0.89 NR1I2 (0.51) NR1I2HTR2CPPARGPGRESR1
SCHEMBL9370289 0.89 NR1I2 (0.51) NR1I2HTR2CPPARGPGRESR1

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
US-RE48097-E1 Cephem compounds, their production and use NAEJA-RGM PHARMACEUTICALS ULC (CA) 2020-07-14 — — US disclosed
EP-3386977-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM Pharmaceuticals ULC (CA) 2018-10-17 — — EP disclosed
US-9751894-B2 Cephem compounds, their production and use NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-09-05 — — US disclosed
WO-2017096472-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-06-15 — — WO disclosed
US-20170166587-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS ULC (CA) 2017-06-15 — — 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-20170166587-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE CEP170, AADAC, NAA50 NR1I2 2215/4885HTR2C 1055/4885PPARG 3468/4885

“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.

Send feedback