SCHEMBL90963

SCHEMBL90963

COc1cc(-c2n[nH]c([C@H]3CC[C@H](NS(=O)(=O)C(C)C)CC3)c2F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
GRIA2 P42262 13/20 0.40
CYP2C19 P33261 1/20 0.38
SMPD3 Q9NY59 1/20 0.37
CYP1A2 P05177 1/20 0.36
MAP2K7 O14733 1/20 0.36
MAP2K4 P45985 1/20 0.36
BRD4 O60885 1/20 0.36
BRD3 Q15059 1/20 0.36
BRAF P15056 1/20 0.35
MME P08473 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
SCHEMBL90972 0.93 KMT2A (0.41) GRIA2CYP2C19SMPD3CYP1A2MAP2K7
SCHEMBL8595107 0.84 GRIA2 (0.47) GRIA2CYP2C19CYP1A2MAP2K7MAP2K4
SCHEMBL90970 0.84 GRIA2 (0.38) GRIA2CYP2C19CYP1A2MAP2K7MAP2K4
SCHEMBL90926 0.82 MAP2K4 (0.47) GRIA2CYP2C19CYP1A2MAP2K7MAP2K4
SCHEMBL90956 0.82 KDM4E (0.45) GRIA2CYP2C19CYP1A2MAP2K7MAP2K4
SCHEMBL90973 0.80 GRIA2 (0.46) GRIA2CYP2C19MAP2K7MAP2K4
SCHEMBL90940 0.79 GRIA2 (0.45) GRIA2CYP2C19CYP1A2MAP2K4
SCHEMBL90953 0.78 GRIA2 (0.41) HTTGRIA2CYP2C19CYP1A2MAP2K4
SCHEMBL91027 0.73 MAP2K4 (0.46) GRIA2CYP2C19CYP1A2MAP2K7MAP2K4
SCHEMBL91040 0.73 MAPK11 (0.44) GRIA2CYP2C19CYP1A2MAP2K4

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 ALDH1A1 4801/4885GAA 4463/4885HPGD 3049/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R ALDH1A1 4801/4885GAA 4463/4885HPGD 3049/4885

“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.