SCHEMBL13108597

SCHEMBL13108597

Cc1cc(N[C@@H](CC(=O)OC(C)(C)C)C(=O)O)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ GLA P06280 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ AAK1 Q2M2I8 3/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34
▸ CTSS P25774 2/20 0.33

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
SCHEMBL3020312 0.88 GAA (0.45) KDM4EGAAMAPTMAPK1RAB9A
SCHEMBL13108606 0.84 AAK1 (0.37) KDM4EGAAMAPTABCG2GLA
SCHEMBL13108596 0.84 AAK1 (0.37) KDM4EGAAMAPTABCG2GLA
SCHEMBL13108599 0.83 AAK1 (0.36) KDM4EGAAMAPTABCG2GLA
SCHEMBL14267462 0.78 AAK1 (0.34) KDM4EGAAMAPTGLAALDH1A1
SCHEMBL28312030 0.76 RAB9A (0.45) KDM4EGAAMAPTMAPK1RAB9A
SCHEMBL38122 0.76 PPARA (0.42) KDM4EGAAMAPTMAPK1RAB9A
SCHEMBL38121 0.76 PPARA (0.42) KDM4EGAAMAPTMAPK1RAB9A
SCHEMBL13108595 0.75 STAT3 (0.35) ALDH1A1AAK1CYP2C19S1PR3AR
SCHEMBL13326255 0.75 S1PR3 (0.39) KDM4EGAAMAPTGLAALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 888/4885GAA 4768/4885MAPT 3546/4885
US-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 KDM4E 888/4885GAA 4768/4885MAPT 3546/4885

“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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