SCHEMBL3021119

SCHEMBL3021119

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 1/20 0.39
▸ F11 P03951 3/20 0.38
▸ KLKB1 P03952 2/20 0.38
▸ RORC P51449 5/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ IDO1 P14902 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ AR P10275 2/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35

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 SCHEMBL3026428 0.99 S1PR3 (0.39) S1PR3F11KLKB1RORCSLC22A12
SCHEMBL13108646 0.92 RORC (0.38) S1PR3F11KLKB1RORCSLC22A12
SCHEMBL3025151 0.88 RORC (0.41) S1PR3RORCSLC22A12ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3034768 0.87 RORC (0.41) S1PR3RORCSLC22A12ALDH1A1LMNA
SCHEMBL12345098 0.87 AR (0.36) S1PR3RORCSLC22A12ALDH1A1LMNA
SCHEMBL3031514 0.86 RORC (0.42) S1PR3RORCSLC22A12ALDH1A1LMNA
SCHEMBL4456752 0.85 RORC (0.40) S1PR3RORCALDH1A1LMNAGAA
SCHEMBL3033130 0.83 S1PR3 (0.42) S1PR3RORCSLC22A12ALDH1A1LMNA
SCHEMBL3032624 0.83 AR (0.40) S1PR3RORCSLC22A12ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3024952 0.82 AR (0.40) S1PR3RORCSLC22A12ALDH1A1LMNA

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 232/4885F11 2045/4885KLKB1 639/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 S1PR3 232/4885F11 2045/4885KLKB1 639/4885

“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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