SCHEMBL90836

SCHEMBL90836

CON(C)C(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.56
CTSS P25774 3/20 0.56
JAK3 P52333 1/20 0.53
BTK Q06187 1/20 0.53
OPRK1 P41145 1/20 0.45
MAPT P10636 1/20 0.45
SCN9A Q15858 1/20 0.43
S1PR3 Q99500 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRB2 P47870 1/20 0.42
ATM Q13315 2/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL16847362 1.00 CTSK (0.56) CTSKCTSSJAK3BTKOPRK1
SCHEMBL8351861 0.87 CTSK (0.60) CTSKCTSSJAK3BTKOPRK1
SCHEMBL33530612 0.87 JAK3 (0.43) CTSKCTSSJAK3BTKMAPT
SCHEMBL14847752 0.87 S1PR3 (0.45) CTSKCTSSJAK3BTKMAPT
SCHEMBL33530617 0.87 JAK3 (0.43) CTSKCTSSJAK3BTKMAPT
SCHEMBL2834038 0.87 S1PR3 (0.45) CTSKCTSSJAK3BTKMAPT
SCHEMBL15670019 0.87 JAK3 (0.43) CTSKCTSSJAK3BTKOPRK1
SCHEMBL14847753 0.87 S1PR3 (0.45) CTSKCTSSJAK3BTKMAPT
SCHEMBL20439330 0.85 CTSS (0.48) CTSKCTSSJAK3BTKPPARA
SCHEMBL2837436 0.85 JAK3 (0.42) CTSKCTSSJAK3BTKMAPT

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 CTSK 1925/4885CTSS 1439/4885JAK3 1064/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CTSK 1925/4885CTSS 1439/4885JAK3 1064/4885

“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.