SCHEMBL4171874

SCHEMBL4171874

Cc1ccc(C)n1-c1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.64
ESR1 P03372 5/20 0.64
HDAC6 Q9UBN7 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
ABHD6 Q9BV23 7/20 0.45
PKM P14618 1/20 0.42
BTK Q06187 1/20 0.41
MYC P01106 1/20 0.40
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL14100712 0.82 ESR2 (0.72) ESR2ESR1HDAC6HDAC8ABHD6
SCHEMBL8176145 0.78 ESR2 (1.00) ESR2ESR1HDAC6HDAC8ABHD6
SCHEMBL29963966 0.77 ESR2 (0.72) ESR2ESR1HDAC6HDAC8ABHD6
SCHEMBL3874010 0.77 ESR2 (0.72) ESR2ESR1HDAC6HDAC8ABHD6
SCHEMBL419896 0.77 ESR2 (0.72) ESR2ESR1HDAC6HDAC8ABHD6
SCHEMBL25206226 0.77 ESR2 (0.76) ESR2ESR1HDAC6HDAC8ABHD6
SCHEMBL8266789 0.77 ESR1 (0.72) ESR2ESR1HDAC6HDAC8ABHD6
SCHEMBL4179872 0.77 ESR2 (0.72) ESR2ESR1HDAC6HDAC8ABHD6
SCHEMBL14569347 0.76 ESR2 (0.67) ESR2ESR1HDAC6HDAC8ABHD6
SCHEMBL3895230 0.76 ESR1 (1.00) ESR2ESR1HDAC6HDAC8ABHD6

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-1869010-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO disclosed
WO-2006108709-A1 3-SULFONYLAMINO-PYRROLIDINE-2-ONE DERIVATIVES AS FACTOR XA INHIBITORS GLAXO GROUP LIMITED (GB) 2006-10-19 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-20090099231-A1 3-Sulfonylamino-Pyrrolidine-2-One Derivatives as Factor Xa Inhibitors TFPI, SERPINC1, SERPINE1 ESR2 3298/4885ESR1 4202/4885HDAC6 885/4885

“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.