SCHEMBL90867

SCHEMBL90867

COc1ccc(-c2c[nH]c([C@H]3CC[C@H](NS(=O)(=O)C(C)(C)C)CC3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 1/20 0.37
PDGFRB P09619 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 2/20 0.36
KLK7 P49862 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GSK3B P49841 2/20 0.34
GSK3A P49840 1/20 0.34
DYRK1A Q13627 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34
NPC1 O15118 2/20 0.33

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
SCHEMBL90975 0.89 PLK1 (0.40) PDGFRBKMT2AMEN1MAPTLMNA
SCHEMBL90974 0.88 BRD4 (0.41) KMT2AMEN1HTTMAPTLMNA
SCHEMBL91029 0.87 GRIA2 (0.35) PDGFRBHTTMAPTLMNASMN1; SMN2
SCHEMBL90997 0.87 NPY5R (0.35) LMNAGSK3BDYRK1ANPY5R
SCHEMBL90946 0.85 KMT2A (0.41) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL90866 0.83 ABL1 (0.36) KMT2AMEN1GSK3BDYRK1ANPC1
SCHEMBL69642 0.82 NPY5R (0.39) NPY5R
SCHEMBL90947 0.82 SYK (0.42) PDGFRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL71885 0.81 PIK3CD (0.43) PDGFRBHTTLMNASMN1; SMN2CYP1A2
SCHEMBL90863 0.81 SMN1; SMN2 (0.39) PDGFRBKMT2AMEN1MAPTLMNA

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 RIPK2 3853/4885PDGFRB 513/4885KMT2A 2284/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R RIPK2 3853/4885PDGFRB 513/4885KMT2A 2284/4885

“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.