SCHEMBL3031514

SCHEMBL3031514

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 7/20 0.42
▸ S1PR3 Q99500 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ AR P10275 2/20 0.38
▸ SLC22A12 Q96S37 3/20 0.37

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
SCHEMBL3025151 0.91 RORC (0.41) RORCS1PR3ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL3034768 0.90 RORC (0.41) RORCS1PR3ALDH1A1LMNAGAA
SCHEMBL27756864 0.89 RORC (0.41) RORCS1PR3ALDH1A1LMNAGAA
SCHEMBL13108633 0.89 RORC (0.41) RORCS1PR3ALDH1A1LMNAGAA
SCHEMBL3033130 0.88 S1PR3 (0.42) RORCS1PR3ALDH1A1LMNAGAA
SCHEMBL4456752 0.88 RORC (0.40) RORCS1PR3ALDH1A1LMNAGAA
SCHEMBL3032624 0.88 AR (0.40) RORCS1PR3ALDH1A1LMNAGAA
SCHEMBL3029565 0.87 RORC (0.42) RORCS1PR3ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL3024952 0.87 AR (0.40) RORCS1PR3ALDH1A1LMNAGAA
Hydrochloric Acid SCHEMBL3024257 0.86 RORC (0.41) RORCS1PR3ALDH1A1LMNAGAA

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 4 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
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 RORC 266/4885S1PR3 232/4885ALDH1A1 1336/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 RORC 266/4885S1PR3 232/4885ALDH1A1 1336/4885

“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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