Sugi Predict

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SCHEMBL10114970

SCHEMBL10114970

CCc1cc(NC(=O)[C@H]2CC[C@H](NS(=O)(=O)C(C)C)CC2)ccc1OC1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.55
▸ ENPP3 O14638 3/20 0.41
▸ ENPP1 P22413 3/20 0.41
▸ ENPP2 Q13822 2/20 0.41
▸ P2RX4 Q99571 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ GRIA2 P42262 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL10116163 0.85 PDE4A (0.43) POLBRORCPDE4A
SCHEMBL14424276 0.83 PDE4A (0.39) POLBP2RX4RORCGRIA2PDE4A
SCHEMBL14424355 0.83 ENPP3 (0.51) POLBENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL10114618 0.83 ENPP3 (0.51) POLBENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL13564914 0.82 PDE4A (0.41) POLBP2RX4RORCGRIA2PDE4A
SCHEMBL10114920 0.82 ENPP3 (0.53) POLBENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL14424383 0.82 ENPP3 (0.53) POLBENPP3ENPP1ENPP2SMN1; SMN2
SCHEMBL14424357 0.81 POLB (0.47) POLBSMN1; SMN2NPSR1LMNAHTT
SCHEMBL10114582 0.81 POLB (0.47) POLBSMN1; SMN2NPSR1LMNAHTT
SCHEMBL10114113 0.81 KMT2A (0.47) POLBSMN1; SMN2NPSR1GRIA2RAB9A

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 9 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

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 POLB 4727/4885ENPP3 3334/4885ENPP1 3255/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885ENPP3 3225/4885ENPP1 3059/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4721/4885ENPP3 3416/4885ENPP1 3327/4885

“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.