SCHEMBL90932

SCHEMBL90932

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](c2[nH]nc(-c3cccc(F)c3)c2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 10/20 0.46
MAP2K7 O14733 2/20 0.39
HTR6 P50406 1/20 0.36
MAPK11 Q15759 2/20 0.35
MAPK14 Q16539 2/20 0.35
HTR7 P34969 1/20 0.34
KIT P10721 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CCNT1 O60563 1/20 0.33
NPY5R Q15761 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 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
SCHEMBL90925 0.88 MAP2K4 (0.46) MAP2K4MAP2K7HTR6MAPK11MAPK14
SCHEMBL91039 0.88 MAP2K4 (0.43) MAP2K4MAP2K7HTR6MAPK11MAPK14
SCHEMBL16300074 0.88 DRD2 (0.39) MAP2K4MAP2K7MAPK11MAPK14CDK2
SCHEMBL91027 0.86 MAP2K4 (0.46) MAP2K4MAP2K7
SCHEMBL90927 0.86 MAP2K4 (0.43) MAP2K4MAP2K7HTR6HTR7KIT
SCHEMBL90995 0.80 MEN1 (0.46) MAP2K4MAP2K7CCNA2CDK2CCNA1
SCHEMBL90979 0.79 USP30 (0.41) MAP2K4MAP2K7MAPK11MAPK14CDK2
SCHEMBL90968 0.79 MAP2K4 (0.40) MAP2K4CCNA2CDK2CCNA1
SCHEMBL91035 0.78 USP30 (0.43) MAP2K4CCNA2CDK2
SCHEMBL90926 0.76 MAP2K4 (0.47) MAP2K4MAP2K7

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 MAP2K4 419/4885MAP2K7 391/4885HTR6 272/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R MAP2K4 419/4885MAP2K7 391/4885HTR6 272/4885

“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.