SCHEMBL10114082

SCHEMBL10114082

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(OCC(=O)O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
MAPK1 P28482 1/20 0.47
GRIA2 P42262 1/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 2/20 0.46
PKM P14618 1/20 0.46
F10 P00742 3/20 0.46
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
TUBB4A P04350 1/20 0.45
TUBB P07437 1/20 0.45
TUBA3C P0DPH7 1/20 0.45
TUBA1B P68363 1/20 0.45
TUBA4A P68366 1/20 0.45
TUBB4B P68371 1/20 0.45

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
SCHEMBL10114079 0.91 KMT2A (0.49) TP53GRIA2ALDH1A1HTTF10
SCHEMBL10114060 0.90 SMN1; SMN2 (0.53) TP53GRIA2ALDH1A1HTTMTNR1A
SCHEMBL14424353 0.88 ALDH1A1 (0.47) TP53GRIA2ALDH1A1HTTF10
SCHEMBL10114580 0.88 ALDH1A1 (0.47) TP53GRIA2ALDH1A1HTTF10
SCHEMBL10114062 0.88 ALDH1A1 (0.48) TP53GRIA2ALDH1A1HTTF10
SCHEMBL10114061 0.87 THRB (0.50) TP53GRIA2ALDH1A1HTTF10
SCHEMBL12882303 0.87 GRIA2 (0.46) TP53GRIA2ALDH1A1HTTF10
SCHEMBL12882777 0.87 MTNR1A (0.53) GRIA2ALDH1A1HTTPKMMTNR1A
SCHEMBL10114084 0.86 GRIA2 (0.45) TP53GRIA2ALDH1A1HTTF10
SCHEMBL10113286 0.86 TP53 (0.53) TP53MAPK1ALDH1A1HTTPKM

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 TP53 4449/4885MAPK1 1371/4885GRIA2 347/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TP53 4417/4885MAPK1 1345/4885GRIA2 334/4885

“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.