SCHEMBL10113593

SCHEMBL10113593

CC(C)(C)S(=O)(=O)NCCCCC(=O)NCc1nccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL13564789 0.84 SLC2A1 (0.43) CYP3A4ALDH1A1KDM4ENPY5R
SCHEMBL10113545 0.83 CA2 (0.44) MEN1KMT2ASMN1; SMN2LMNANPY5R
SCHEMBL10113598 0.82 ALDH1A1 (0.42) ADORA2AADORA1CYP3A4POLBMEN1
SCHEMBL10113591 0.78 HDAC1 (0.53) MEN1KMT2AHDAC1HDAC2HDAC6
SCHEMBL10113597 0.78 HDAC1 (0.64) KMT2AHDAC1HDAC2HDAC6ALDH1A1
SCHEMBL12882346 0.73 LMNA (0.61) POLBMEN1KMT2AHDAC1HDAC2
SCHEMBL10113528 0.73 ALDH1A1 (0.48) POLBHDAC1HDAC6HDAC3SMN1; SMN2
SCHEMBL10113307 0.72 NPY5R (0.47) ADORA2AADORA1MEN1KMT2ASMN1; SMN2
SCHEMBL13203843 0.72 NPY5R (0.47) ADORA2AADORA1MEN1KMT2ASMN1; SMN2
SCHEMBL18586919 0.71 ADORA2A (0.52) ADORA2AADORA1SMN1; SMN2ALDH1A1KDM4E

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 7 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-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-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-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 ADORA2A 1321/4885ADORA1 955/4885CYP3A4 1628/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ADORA2A 1330/4885ADORA1 971/4885CYP3A4 1677/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ADORA2A 1307/4885ADORA1 928/4885CYP3A4 1560/4885

“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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