Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114066

SCHEMBL10114066

SCHEMBL10114066

CCCCOc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cc1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ENPP3 O14638 2/20 0.39
▸ ENPP1 P22413 2/20 0.39
▸ ENPP2 Q13822 2/20 0.39
▸ ACACB O00763 1/20 0.39
▸ ELOVL6 Q9H5J4 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ POLB P06746 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ ACLY P53396 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
SCHEMBL14418416 0.89 KMT2A (0.43) KMT2ANPSR1ENPP3ENPP1ENPP2
SCHEMBL10113277 0.86 NPY5R (0.47) KMT2ANPSR1ENPP3ENPP1ENPP2
SCHEMBL13203812 0.86 NPY5R (0.47) KMT2ANPSR1ENPP3ENPP1ENPP2
SCHEMBL10113998 0.86 KMT2A (0.53) KMT2ANPSR1ENPP3ENPP1ENPP2
SCHEMBL13565719 0.83 CNR2 (0.37) KMT2AGRIA2MAPTCNR1CNR2
SCHEMBL10114061 0.83 THRB (0.50) NPSR1GRIA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL10114068 0.83 L3MBTL1 (0.47) KMT2ANPSR1ENPP3ENPP1ENPP2
SCHEMBL10114113 0.83 KMT2A (0.47) KMT2ANPSR1ACACBGRIA2POLB
SCHEMBL10114065 0.82 CNR2 (0.45) KMT2AACACBCNR1CNR2
SCHEMBL13204304 0.79 POLB (0.58) KMT2ANPSR1POLBSMN1; SMN2ALDH1A1

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-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 KMT2A 2912/4885NPSR1 7/4885ENPP3 3334/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885NPSR1 8/4885ENPP3 3225/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885NPSR1 7/4885ENPP3 3416/4885

“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.