SCHEMBL10133418

SCHEMBL10133418

CC1CN(S(=O)(=O)c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2)CC(C)O1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDIT3 P35638 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
USP2 O75604 2/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 1/20 0.46
NAMPT P43490 1/20 0.46
THRB P10828 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL13204317 1.00 DDIT3 (0.48) DDIT3MEN1KMT2AUSP2NPC1
SCHEMBL10114757 1.00 DDIT3 (0.48) DDIT3MEN1KMT2AUSP2NPC1
SCHEMBL10114774 0.89 RXFP1 (0.49) USP2TDP1MAPTGAALMNA
SCHEMBL10133494 0.89 RXFP1 (0.49) USP2TDP1MAPTGAALMNA
SCHEMBL14418505 0.89 RXFP1 (0.49) USP2TDP1MAPTGAALMNA
SCHEMBL10133402 0.86 DDIT3 (0.48) DDIT3MEN1KMT2AUSP2NPC1
SCHEMBL10114394 0.86 DDIT3 (0.48) DDIT3MEN1KMT2AUSP2NPC1
SCHEMBL13204163 0.86 DDIT3 (0.48) DDIT3MEN1KMT2AUSP2NPC1
SCHEMBL13204286 0.86 MAPT (0.49) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL10114125 0.86 MAPT (0.49) MEN1KMT2AMAPTLMNANPSR1

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-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 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 DDIT3 4672/4885MEN1 2932/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R DDIT3 4779/4885MEN1 2926/4885KMT2A 2953/4885

“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.