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SCHEMBL10115073

SCHEMBL10115073

CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(F)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALPL P05186 1/20 0.43
▸ ALPI P09923 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL10115113 0.84 HDAC3 (0.56) HDAC3HDAC1POLBTP53
SCHEMBL10115228 0.84 HDAC3 (0.47) HDAC3HDAC1EPHX2ALDH1A1MEN1
SCHEMBL10114993 0.84 HDAC3 (0.53) HDAC3HDAC1ALDH1A1SMN1; SMN2GAA
SCHEMBL14627642 0.83 HDAC3 (0.50) HDAC3HDAC1ALDH1A1KMT2ALMNA
SCHEMBL13566001 0.81 EPHX2 (0.42) HDAC3HDAC1EPHX2ALDH1A1MEN1
SCHEMBL10115223 0.81 HDAC6 (0.48) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL10115152 0.80 ALDH1A1 (0.49) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL10113181 0.80 CACNA1G (0.47) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL10113406 0.79 HDAC3 (0.56) HDAC3HDAC1ALDH1A1MEN1KMT2A
SCHEMBL10115083 0.78 HDAC1 (0.46) HDAC3HDAC1ALDH1A1POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R HDAC3 664/4885HDAC1 1995/4885EPHX2 2158/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 489/4885HDAC1 1703/4885EPHX2 2527/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HDAC3 669/4885HDAC1 2021/4885EPHX2 2306/4885

“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.