SCHEMBL10116702

SCHEMBL10116702

CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.74
KMT2A Q03164 8/20 0.74
MEN1 O00255 6/20 0.74
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2C9 P11712 1/20 0.72
USP2 O75604 3/20 0.70
MAPK1 P28482 2/20 0.70
TSHR P16473 2/20 0.70
LMNA P02545 3/20 0.68
KDM4E B2RXH2 2/20 0.68
TP53 P04637 1/20 0.68
MAPT P10636 2/20 0.68
RAB9A P51151 2/20 0.66
GAA P10253 2/20 0.66
POLB P06746 1/20 0.61
TAAR1 Q96RJ0 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL10116703 0.88 MEN1 (0.68) ALDH1A1KMT2AMEN1TSHRLMNA
SCHEMBL10116401 0.84 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL19392435 0.83 KMT2A (1.00) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL10133287 0.82 THRB (0.65) ALDH1A1KMT2AMEN1USP2MAPK1
SCHEMBL10116508 0.82 THRB (0.65) ALDH1A1KMT2AMEN1USP2MAPK1
SCHEMBL14583927 0.81 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL12793561 0.80 ALDH1A1 (0.76) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL22501859 0.80 LMNA (0.87) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL10116695 0.79 LMNA (0.69) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL10116627 0.79 LMNA (0.56) ALDH1A1KMT2AMEN1LMNAKDM4E

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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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
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 (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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R ALDH1A1 4558/4885KMT2A 2912/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KMT2A 2768/4885MEN1 2932/4885

“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.