SCHEMBL90975

SCHEMBL90975

COc1cccc(-c2c[nH]c([C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.40
KIT P10721 2/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TYRO3 Q06418 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
KDM1A O60341 1/20 0.38
TP53 P04637 3/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL90992 0.89 TYRO3 (0.40) KITTYRO3
SCHEMBL8527347 0.89 WDR5 (0.37) SMN1; SMN2KDM4EGSK3BTP53ALDH1A1
SCHEMBL90867 0.89 RIPK2 (0.37) PDGFRBNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL90997 0.86 NPY5R (0.35) GSK3BKDM1ALMNACLK4CDK9
SCHEMBL90906 0.86 HSD11B1 (0.39) KITPDGFRBKDRGSK3BCLK4
SCHEMBL90974 0.85 BRD4 (0.41) MAPTSMN1; SMN2KDM4ETP53HSD17B10
SCHEMBL91031 0.84 KDM1A (0.49) KDM1AKMT2AMEN1
SCHEMBL90986 0.83 LRRK2 (0.38) KDM1A
SCHEMBL90872 0.83 PLK1 (0.48) PLK1MAPTSMN1; SMN2KDM4EGSK3A
SCHEMBL71885 0.82 PIK3CD (0.43) PDGFRBSMN1; SMN2KDM4EGSK3BKDM1A

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 PLK1 3831/4885KIT 1375/4885PDGFRB 513/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R PLK1 3831/4885KIT 1375/4885PDGFRB 513/4885

“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.