SCHEMBL15060256

SCHEMBL15060256

C=COc1ccccc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.43
▸ BRD9 Q9H8M2 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ METAP1 P53582 1/20 0.40
▸ PDK1 Q15118 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ PDK3 Q15120 1/20 0.40
▸ PDK4 Q16654 1/20 0.40
▸ TDP2 O95551 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 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
SCHEMBL25414139 0.83 TDP2 (0.42) LMNAPOLBRXFP1BRD9KMT2A
SCHEMBL729221 0.81 KMT2A (0.59) LMNAPOLBKMT2AL3MBTL1PDK1
SCHEMBL29991357 0.81 KMT2A (0.59) LMNAPOLBKMT2AL3MBTL1PDK1
SCHEMBL29990960 0.81 ALDH1A1 (0.49) LMNAPOLBRXFP1BRD9KMT2A
SCHEMBL27839550 0.81 LMNA (0.44) LMNAPOLBRXFP1BRD9KMT2A
SCHEMBL2880191 0.81 LMNA (0.54) LMNAPOLBRXFP1BRD9KMT2A
Formic Acid SCHEMBL28158036 0.79 KMT2A (0.54) LMNAPOLBKMT2AL3MBTL1PDK1
SCHEMBL1064806 0.79 TGM2 (0.46) LMNAPOLBRXFP1BRD9METAP1
SCHEMBL4636495 0.79 BRD9 (0.45) LMNAPOLBRXFP1BRD9KMT2A
SCHEMBL2062142 0.79 LMNA (0.45) LMNAPOLBRXFP1BRD9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 — — US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 — — US disclosed
US-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2015-05-28 — — US disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 — — EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 — — WO 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 (1 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-20150148311-A1 NON-SYSTEMIC TGR5 AGONISTS GLP1R, GPR119, TRHR LMNA 2486/4885POLB 4475/4885RXFP1 15/4885

“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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