SCHEMBL90995

SCHEMBL90995

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc(-c3cccc(F)c3)n[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
MAP2K4 P45985 3/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
USP30 Q70CQ3 4/20 0.38
ALOX15 P16050 3/20 0.37
NFKB1 P19838 2/20 0.37
NFKB2 Q00653 2/20 0.37
RELA Q04206 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
SCHEMBL91023 0.88 MKNK1 (0.57) MEN1KMT2APOLBMKNK1MKNK2
SCHEMBL90870 0.88 DRD4 (0.48) MEN1KMT2APOLBCCNA2CDK2
SCHEMBL91037 0.87 DRD4 (0.44) MEN1KMT2APOLBCCNA2CDK2
SCHEMBL8573299 0.86 CCNA2 (0.47) MEN1KMT2APOLBCCNA2CDK2
SCHEMBL90872 0.85 PLK1 (0.48) MEN1KMT2APOLBCCNA2CDK2
SCHEMBL90865 0.85 GRIA2 (0.47) MEN1KMT2APOLBCCNA2CDK2
SCHEMBL91001 0.85 USP30 (0.54) MEN1KMT2APOLBCCNA2CDK2
SCHEMBL90983 0.84 DRD2 (0.50) MEN1KMT2APOLBMKNK1MKNK2
SCHEMBL91033 0.82 MKNK1 (0.42) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL8594304 0.82 MKNK1 (0.40) MEN1KMT2APOLBCCNA2CDK2

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 MEN1 2264/4885KMT2A 2284/4885POLB 3932/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MEN1 2264/4885KMT2A 2284/4885POLB 3932/4885

“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.