SCHEMBL13108595

SCHEMBL13108595

Cc1ccc(S(=O)(=O)OC[C@H](CC(=O)OC(C)(C)C)Nc2ccc(C#N)c(C)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.35
▸ RORC P51449 2/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ AAK1 Q2M2I8 2/20 0.33
▸ PPID Q08752 1/20 0.33
▸ AR P10275 3/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ S1PR1 P21453 1/20 0.33

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
SCHEMBL12345093 0.91 SLC22A12 (0.38) STAT3RORCARS1PR3ALDH1A1
SCHEMBL13108596 0.81 AAK1 (0.37) AAK1ARS1PR3CYP2C19ALDH1A1
SCHEMBL13108606 0.81 AAK1 (0.37) AAK1ARS1PR3CYP2C19PGR
SCHEMBL14300551 0.81 STAT3 (0.36) STAT3CTDSP1SIRT5ALDH1A1
SCHEMBL13108599 0.80 AAK1 (0.36) AAK1ARS1PR3CYP2C19ALDH1A1
SCHEMBL3029373 0.79 ALDH1A1 (0.40) STAT3RORCCTDSP1SIRT5S1PR3
SCHEMBL14267462 0.77 AAK1 (0.34) AAK1ARS1PR3CYP2C19ALDH1A1
SCHEMBL29255200 0.76 ALDH1A1 (0.42) STAT3AAK1ALDH1A1
SCHEMBL13108597 0.75 KDM4E (0.41) AAK1ARS1PR3CYP2C19ALDH1A1
SCHEMBL30096737 0.71 ALDH1A1 (0.41) STAT3AAK1ALDH1A1

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
US-7816395-B2 Pyrrolidinone anilines as progesterone receptor modulators GLAXOSMITHKLINE LLC (US) 2010-10-19 — — US disclosed
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-08-19 — — US disclosed
US-20080039517-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS GLAXOSMITHKLINE LLC 2008-02-14 — — 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-20080039517-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 STAT3 641/4885RORC 266/4885CTDSP1 1031/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 STAT3 641/4885RORC 266/4885CTDSP1 1031/4885

“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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