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SCHEMBL10114839

SCHEMBL10114839

CC(C)N1C(=O)c2ccc(NC(=O)C3CCC(NS(=O)(=O)C(C)C)CC3)cc2C1=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ HPGD P15428 6/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CASP3 P42574 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP2C19 P33261 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL13204345 1.00 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL14627682 0.91 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL10114454 0.91 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL10114786 0.88 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL14424800 0.88 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL10114627 0.87 ALDH1A1 (0.50) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL10114807 0.86 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL10114437 0.86 ALDH1A1 (0.54) ALDH1A1HPGDKDM4EHSD17B10SMN1; SMN2
SCHEMBL10115979 0.84 LMNA (0.40) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL10114017 0.84 ALDH1A1 (0.71) ALDH1A1HPGDKDM4EHSD17B10SMN1; 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 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-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-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — 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 ALDH1A1 4599/4885HPGD 3475/4885KDM4E 1627/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HPGD 3476/4885KDM4E 1653/4885

“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.