SCHEMBL3029373

SCHEMBL3029373

Cc1ccc(S(=O)(=O)OC[C@H](CC(=O)O)Nc2ccc(C#N)c(Cl)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ STAT3 P40763 2/20 0.39
▸ SLC22A12 Q96S37 5/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ RORC P51449 4/20 0.38
▸ GAA P10253 1/20 0.37
▸ PLA2G7 Q13093 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ BRD4 O60885 1/20 0.36

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
SCHEMBL12345093 0.88 SLC22A12 (0.38) ALDH1A1LMNAKDM4EMEN1MAPT
SCHEMBL13108595 0.79 STAT3 (0.35) ALDH1A1STAT3CTDSP1SIRT5RORC
SCHEMBL27756884 0.77 S1PR3 (0.44) ALDH1A1LMNASLC22A12RORCGAA
SCHEMBL3025038 0.77 S1PR3 (0.44) ALDH1A1LMNASLC22A12RORCGAA
SCHEMBL3033130 0.76 S1PR3 (0.42) ALDH1A1LMNAKDM4EMAPTSLC22A12
SCHEMBL3025433 0.76 IDO1 (0.45) ALDH1A1LMNASLC22A12RORCGAA
SCHEMBL3027062 0.74 RORC (0.43) ALDH1A1LMNASLC22A12RORCGAA
SCHEMBL3031514 0.74 RORC (0.42) ALDH1A1LMNASLC22A12RORCGAA
SCHEMBL14300551 0.74 STAT3 (0.36) ALDH1A1LMNAKDM4EMEN1MAPT
SCHEMBL3029565 0.73 RORC (0.42) ALDH1A1LMNASLC22A12RORCGAA

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 ALDH1A1 1336/4885LMNA 3162/4885KDM4E 888/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 ALDH1A1 1336/4885LMNA 3162/4885KDM4E 888/4885

“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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