SCHEMBL443447

SCHEMBL443447

C[C@H](N)[C@H](Oc1nn(-c2ccc(F)cc2)c2ccccc12)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.41
NR3C1 P04150 16/20 0.40
PGR P06401 2/20 0.38
RARG P13631 1/20 0.37
RORC P51449 1/20 0.37
DGAT2 Q96PD7 2/20 0.36

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
SCHEMBL441201 0.80 NR3C1 (0.46) NR3C1PGR
SCHEMBL9943362 0.72 NR3C1 (0.62) NR3C1PGR
SCHEMBL9943361 0.72 NR3C1 (0.62) NR3C1PGR
SCHEMBL835586 0.71 NR3C1 (0.72) NR3C1PGR
SCHEMBL412277 0.71 NR3C1 (0.72) NR3C1PGR
SCHEMBL12101194 0.71 NR3C1 (0.72) NR3C1PGR
SCHEMBL835568 0.70 NR3C1 (0.52) NR3C1PGR
SCHEMBL12253495 0.68 SLC34A1 (0.58) PLK1
SCHEMBL5136736 0.68 SLC34A1 (0.42) PLK1NR3C1RORC
SCHEMBL27834342 0.66 KHK (0.57) RARGRORC

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
EP-2097384-B1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-20120065173-A1 CHEMICAL COMPOUNDS BERGER MARKUS (DE) 2012-03-15 US disclosed
US-20080207721-A1 Chemical compounds BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-08-28 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 (2 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-20080207721-A1 Chemical compounds NR3C1, NR3C2, MC2R PLK1 2654/4885NR3C1 1/4885PGR 263/4885
US-20120065173-A1 CHEMICAL COMPOUNDS NR3C1, NR3C2, MC2R PLK1 2652/4885NR3C1 1/4885PGR 281/4885

“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.