SCHEMBL90848

SCHEMBL90848

CCOC(=O)CC(=O)[C@H]1CC[C@H](NS(=O)(=O)C(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
NPY5R Q15761 1/20 0.40
GAA P10253 4/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
SMYD3 Q9H7B4 1/20 0.35
EPHX2 P34913 2/20 0.34
LMNA P02545 4/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX12 P18054 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL2886966 0.84 ALDH1A1 (0.44) POLBNPY5RLMNATSHRALDH1A1
SCHEMBL2886058 0.84 ALDH1A1 (0.44) POLBNPY5RLMNATSHRALDH1A1
SCHEMBL1014646 0.80 GAA (0.58) GAAMGAMSIMGAM2SMYD3
SCHEMBL25374771 0.75 BTK (0.46) GAAMGAMSIMGAM2SMYD3
SCHEMBL25374777 0.75 BTK (0.46) GAAMGAMSIMGAM2SMYD3
SCHEMBL2901646 0.74 NPY5R (0.45) POLBNPY5RGAAKDM4EHSD17B10
SCHEMBL2901644 0.74 NPY5R (0.45) POLBNPY5RGAAKDM4EHSD17B10
SCHEMBL2898453 0.74 NPY5R (0.45) POLBNPY5RGAAKDM4EHSD17B10
SCHEMBL90846 0.74 ALDH1A1 (0.50) NPY5RGAALMNATSHRHSD17B10
SCHEMBL90843 0.74 NPY5R (0.47) POLBNPY5REPHX2LMNAHSD17B10

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 POLB 3932/4885NPY5R 1/4885GAA 4463/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R POLB 3932/4885NPY5R 1/4885GAA 4463/4885

“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.