SCHEMBL10114978

SCHEMBL10114978

COc1cc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.44
MALT1 Q9UDY8 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
ACLY P53396 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BRAF P15056 1/20 0.40
KDR P35968 1/20 0.40
EPHX2 P34913 1/20 0.40
NPY5R Q15761 1/20 0.40

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
SCHEMBL13204449 1.00 POLB (0.47) POLBKMT2AMALT1MAPTALDH1A1
SCHEMBL14418519 0.91 KMT2A (0.43) POLBKMT2AMALT1MAPTALDH1A1
SCHEMBL14424200 0.91 KMT2A (0.43) POLBKMT2AMALT1MAPTALDH1A1
SCHEMBL10114754 0.87 POLB (0.58) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL13204304 0.87 POLB (0.58) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10114908 0.87 EPHX2 (0.49) KMT2AMAPTALDH1A1SMN1; SMN2KDR
SCHEMBL14424635 0.87 KMT2A (0.46) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10114890 0.87 KMT2A (0.46) POLBKMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10114973 0.85 KMT2A (0.45) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL10114755 0.85 POLB (0.49) POLBKMT2AMALT1MAPTALDH1A1

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885KMT2A 2768/4885MALT1 3148/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4721/4885KMT2A 2953/4885MALT1 3409/4885

“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.