SCHEMBL90946

SCHEMBL90946

COc1ccc(-c2c[nH]c([C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ROCK2 O75116 2/20 0.39
NR3C1 P04150 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
BRD4 O60885 4/20 0.38
BRD3 Q15059 4/20 0.38
PIK3C2G O75747 2/20 0.38
BRD2 P25440 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAAA Q02083 1/20 0.37
PI4KA P42356 1/20 0.37
GHSR Q92847 1/20 0.36
PTGS1 P23219 3/20 0.36
PTGS2 P35354 3/20 0.36
CNR2 P34972 1/20 0.35

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
SCHEMBL90974 0.91 BRD4 (0.41) KMT2ASMPD3BRD4BRD3PIK3C2G
SCHEMBL90867 0.85 RIPK2 (0.37) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL90975 0.82 PLK1 (0.40) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL69642 0.82 NPY5R (0.39)
SCHEMBL90866 0.81 ABL1 (0.36) KMT2AROCK2BRD4MEN1NPC1
SCHEMBL91029 0.81 GRIA2 (0.35) ROCK2NPC1RAB9ASMN1; SMN2CNR2
SCHEMBL90997 0.80 NPY5R (0.35) ROCK2BRD4
SCHEMBL91031 0.78 KDM1A (0.49) KMT2AMEN1
SCHEMBL90863 0.78 SMN1; SMN2 (0.39) KMT2AL3MBTL1MEN1NPC1ALDH1A1
SCHEMBL90992 0.78 TYRO3 (0.40) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KMT2A 2284/4885ROCK2 1125/4885NR3C1 219/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R KMT2A 2284/4885ROCK2 1125/4885NR3C1 219/4885

“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.