SCHEMBL3033130

SCHEMBL3033130

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 1/20 0.42
▸ RORC P51449 5/20 0.41
▸ GAA P10253 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ AR P10275 2/20 0.39
▸ SLC22A12 Q96S37 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3031514 0.88 RORC (0.42) S1PR3RORCGAAALDH1A1LMNA
SCHEMBL27756872 0.88 RORC (0.40) S1PR3RORCGAAALDH1A1LMNA
SCHEMBL13108619 0.88 RORC (0.40) S1PR3RORCGAAALDH1A1LMNA
SCHEMBL3027062 0.88 RORC (0.43) S1PR3RORCGAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL3025489 0.87 RORC (0.42) S1PR3RORCGAAALDH1A1LMNA
SCHEMBL3029565 0.87 RORC (0.42) S1PR3RORCGAAALDH1A1LMNA
Hydrochloric Acid SCHEMBL3024257 0.86 RORC (0.41) S1PR3RORCGAAALDH1A1LMNA
SCHEMBL3025151 0.86 RORC (0.41) S1PR3RORCGAAALDH1A1LMNA
SCHEMBL3025038 0.86 S1PR3 (0.44) S1PR3RORCGAAALDH1A1LMNA
SCHEMBL27756884 0.86 S1PR3 (0.44) S1PR3RORCGAAALDH1A1LMNA

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 S1PR3 232/4885RORC 266/4885GAA 4768/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 S1PR3 232/4885RORC 266/4885GAA 4768/4885

“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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