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SCHEMBL10114807

SCHEMBL10114807

Cc1ccc(N2C(=O)c3ccc(NC(=O)[C@H]4CC[C@H](NS(=O)(=O)C(C)C)CC4)cc3C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ HPGD P15428 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ EPHX2 P34913 4/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ FAAH O00519 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA9 Q16790 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
SCHEMBL10114437 0.92 ALDH1A1 (0.54) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL10114783 0.91 ALDH1A1 (0.45) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL10114971 0.90 ALDH1A1 (0.45) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL13204459 0.90 ALDH1A1 (0.45) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL10134457 0.90 ALDH1A1 (0.45) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL14627682 0.87 ALDH1A1 (0.65) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL10114454 0.87 ALDH1A1 (0.65) ALDH1A1HPGDPOLBKDM4EHSD17B10
SCHEMBL13204345 0.86 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL10114839 0.86 ALDH1A1 (0.52) ALDH1A1HPGDKDM4EHSD17B10MAPT
SCHEMBL10115965 0.86 ALDH1A1 (0.53) ALDH1A1HPGDPOLBHSD17B10MAPT

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 10 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-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 4558/4885HPGD 3487/4885POLB 4727/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885HPGD 3475/4885POLB 4751/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885HPGD 3476/4885POLB 4721/4885

“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.