SCHEMBL3019943

SCHEMBL3019943

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ RORC P51449 5/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SLC22A12 Q96S37 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ AR P10275 2/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.34
▸ CASP1 P29466 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
Hydrochloric Acid SCHEMBL3025121 0.99 S1PR3 (0.38) S1PR3IDO1RORCALDH1A1LMNA
SCHEMBL12345090 0.89 MEN1 (0.37) S1PR3IDO1RORCALDH1A1LMNA
SCHEMBL3031514 0.85 RORC (0.42) S1PR3IDO1RORCALDH1A1LMNA
SCHEMBL13108647 0.85 AR (0.36) RORCALDH1A1LMNAGAASLC22A12
SCHEMBL3025151 0.83 RORC (0.41) S1PR3IDO1RORCALDH1A1LMNA
SCHEMBL3033130 0.83 S1PR3 (0.42) S1PR3IDO1RORCALDH1A1LMNA
Hydrochloric Acid SCHEMBL3034768 0.83 RORC (0.41) S1PR3IDO1RORCALDH1A1LMNA
SCHEMBL3032624 0.83 AR (0.40) S1PR3IDO1RORCALDH1A1LMNA
SCHEMBL3024326 0.83 S1PR3 (0.43) S1PR3IDO1RORCALDH1A1LMNA
Hydrochloric Acid SCHEMBL3025102 0.82 S1PR3 (0.42) S1PR3IDO1RORCALDH1A1LMNA

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
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-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-08-19 — — US disclosed
EP-2049104-A2 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SmithKline Beecham Corporation (US) 2009-04-22 — — EP 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

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 S1PR3 232/4885IDO1 1547/4885RORC 266/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 S1PR3 232/4885IDO1 1547/4885RORC 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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