SCHEMBL12345098

SCHEMBL12345098

COCCNC[C@H](CC(=O)OC(C)(C)C)Nc1ccc(C#N)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 7/20 0.36
▸ SLC22A12 Q96S37 2/20 0.36
▸ RORC P51449 5/20 0.36
▸ SYK P43405 1/20 0.35
▸ S1PR3 Q99500 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL13108646 0.91 RORC (0.38) ARSLC22A12RORCS1PR3ALDH1A1
SCHEMBL13108643 0.90 RORC (0.39) ARSLC22A12RORCALDH1A1LMNA
SCHEMBL13108632 0.88 RORC (0.40) ARSLC22A12RORCALDH1A1LMNA
SCHEMBL27777714 0.88 RORC (0.40) ARSLC22A12RORCALDH1A1LMNA
SCHEMBL13108636 0.87 AR (0.38) ARSLC22A12RORCALDH1A1LMNA
SCHEMBL3021119 0.87 S1PR3 (0.39) ARSLC22A12RORCS1PR3ALDH1A1
Hydrochloric Acid SCHEMBL3026428 0.86 S1PR3 (0.39) ARSLC22A12RORCS1PR3ALDH1A1
SCHEMBL13108623 0.86 AR (0.40) ARSLC22A12RORCALDH1A1LMNA
SCHEMBL27756886 0.86 AR (0.40) ARSLC22A12RORCALDH1A1LMNA
SCHEMBL12345120 0.85 RORC (0.40) ARSLC22A12RORCALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049104-B1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS GLAXOSMITHKLINE LLC (US) 2012-09-19 — — EP disclosed
US-7816395-B2 Pyrrolidinone anilines as progesterone receptor modulators GLAXOSMITHKLINE LLC (US) 2010-10-19 — — US disclosed
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-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-08-19 — — US disclosed
WO-2008021796-A2 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-02-21 — — WO disclosed
US-20080039517-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS GLAXOSMITHKLINE LLC 2008-02-14 — — 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 AR 14/4885SLC22A12 2181/4885RORC 266/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 AR 14/4885SLC22A12 2181/4885RORC 266/4885

“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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