SCHEMBL91025

SCHEMBL91025

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2cc3c(Cl)nccc3[nH]2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.39
CHUK O15111 6/20 0.39
NPY5R Q15761 1/20 0.36
CYP2C9 P11712 1/20 0.35
BRAF P15056 1/20 0.35
CDK9 P50750 7/20 0.33
CCNT1 O60563 6/20 0.33
PIK3C3 Q8NEB9 2/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
BRD4 O60885 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGDR Q13258 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL8554397 0.82 DAO (0.36) IKBKBCHUKNPY5RCDK9CCNT1
SCHEMBL90907 0.81 NPY5R (0.38) IKBKBCHUKNPY5RCYP2C9CDK9
SCHEMBL91019 0.80 IKBKB (0.35) IKBKBCHUKNPY5RTDP1
SCHEMBL8577264 0.79 NPY5R (0.34) IKBKBCHUKNPY5RBRD4PTGDR
SCHEMBL8526567 0.78 PDK2 (0.41) IKBKBCHUKNPY5RCDK9CCNT1
SCHEMBL90914 0.77 NPY5R (0.34) IKBKBCHUKNPY5RCDK9BRD4
SCHEMBL90918 0.77 NPY5R (0.36) IKBKBCHUKNPY5RCDK9BRD4
SCHEMBL90993 0.76 CDK9 (0.33) IKBKBCHUKNPY5RCDK9CCNT1
SCHEMBL90942 0.74 PDK2 (0.38) IKBKBCHUKNPY5RCDK9BRD4
SCHEMBL90916 0.74 IKBKB (0.36) IKBKBCHUKNPY5RCYP2C9CDK9

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 IKBKB 2117/4885CHUK 754/4885NPY5R 1/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R IKBKB 2117/4885CHUK 754/4885NPY5R 1/4885

“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.