SCHEMBL10133753

SCHEMBL10133753

COc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)(C)C)CC2)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
MALT1 Q9UDY8 12/20 0.60
ACLY P53396 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL10114368 1.00 SMN1; SMN2 (0.62) SMN1; SMN2MALT1ACLYTSHRALDH1A1
SCHEMBL10133754 0.90 POLB (0.58) SMN1; SMN2ACLYALDH1A1LMNAHTT
SCHEMBL10114355 0.90 POLB (0.58) SMN1; SMN2ACLYALDH1A1LMNAHTT
SCHEMBL10133755 0.88 KMT2A (0.59) SMN1; SMN2MALT1ACLYTSHRALDH1A1
SCHEMBL10114377 0.88 KMT2A (0.59) SMN1; SMN2MALT1ACLYTSHRALDH1A1
SCHEMBL10133752 0.87 NPY5R (0.51) SMN1; SMN2MALT1ACLYTSHRALDH1A1
SCHEMBL10114362 0.87 NPY5R (0.51) SMN1; SMN2MALT1ACLYTSHRALDH1A1
SCHEMBL10114736 0.85 SMN1; SMN2 (0.62) SMN1; SMN2MALT1ACLYTSHRALDH1A1
SCHEMBL13204311 0.85 SMN1; SMN2 (0.62) SMN1; SMN2MALT1ACLYTSHRALDH1A1
SCHEMBL10115585 0.83 SMN1; SMN2 (0.53) SMN1; SMN2MALT1ALDH1A1HPGD

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 7 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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 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 (3 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R SMN1; SMN2 2213/4885MALT1 3386/4885ACLY 3436/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2197/4885MALT1 3148/4885ACLY 3437/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R SMN1; SMN2 2251/4885MALT1 3409/4885ACLY 3489/4885

“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.