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SCHEMBL10115048

SCHEMBL10115048

Cc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc(C)c1N1C[C@@H](C)O[C@@H](C)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.41
▸ USP2 O75604 2/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HDAC6 Q9UBN7 4/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34

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
SCHEMBL10115055 0.89 HDAC6 (0.39) GAAUSP2KMT2AMEN1TP53
SCHEMBL10115004 0.88 GAA (0.43) GAAUSP2KMT2AMEN1TP53
SCHEMBL10115306 0.86 GAA (0.41) GAAUSP2KMT2AMEN1TP53
SCHEMBL13565151 0.85 NPY5R (0.36) KMT2AMEN1HDAC6TSHRALDH1A1
SCHEMBL10115093 0.84 ALDH1A1 (0.40) GAAUSP2KMT2AMEN1HDAC6
SCHEMBL13204526 0.84 ALDH1A1 (0.40) GAAUSP2KMT2AMEN1HDAC6
SCHEMBL10113454 0.84 MAPT (0.48) GAAUSP2TP53ALOX15HDAC6
SCHEMBL10113622 0.84 MAPT (0.48) GAAUSP2TP53ALOX15HDAC6
SCHEMBL10115047 0.84 MAPT (0.48) GAAUSP2TP53ALOX15HDAC6
SCHEMBL10133223 0.83 KMT2A (0.45) GAAUSP2KMT2AMEN1TP53

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 GAA 3448/4885USP2 3137/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3316/4885USP2 3680/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GAA 3472/4885USP2 3174/4885KMT2A 2953/4885

“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.