SCHEMBL10114434

SCHEMBL10114434

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.45
NPY5R Q15761 1/20 0.45
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
GLA P06280 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
FAAH O00519 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MAPK14 Q16539 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
SCHEMBL10134431 0.87 ALDH1A1 (0.65) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10114413 0.87 ALDH1A1 (0.65) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10114437 0.86 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL12882644 0.86 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12882604 0.84 ALDH1A1 (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL10113215 0.84 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL13203760 0.84 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL10114698 0.82 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTNPC1
SCHEMBL13565118 0.82 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL10113064 0.81 GRM1 (0.44) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 11 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-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-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-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 (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 ALDH1A1 4558/4885KMT2A 2912/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KMT2A 2768/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885KMT2A 2953/4885MEN1 2926/4885

“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.