Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116019

SCHEMBL10116019

SCHEMBL10116019

Cc1cc(C(F)(F)F)ccc1NC(=O)N1CCC(NS(=O)(=O)C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.46
▸ TRPV1 Q8NER1 2/20 0.44
▸ RAB9A P51151 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CCR1 P32246 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ TEAD1 P28347 2/20 0.41
▸ CCR8 P51685 1/20 0.41
▸ CCR2 P41597 1/20 0.40
▸ CCR5 P51681 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
SCHEMBL10115667 0.86 NPY5R (0.48) EPHX2TRPV1RAB9ATHRBNPC1
SCHEMBL10114622 0.85 EPHX2 (0.57) EPHX2TRPV1
SCHEMBL10116039 0.83 RBP4 (0.41) EPHX2CCR8
SCHEMBL10116041 0.83 EPHX2 (0.57) EPHX2TRPV1CCR2
SCHEMBL14424629 0.83 NPY5R (0.49) EPHX2RAB9ANPC1
SCHEMBL10114847 0.83 NPY5R (0.49) EPHX2RAB9ANPC1
SCHEMBL10116053 0.82 HRH3 (0.44) RAB9ATHRBNPC1MAPK1CCR8
SCHEMBL10116148 0.82 CCR8 (0.47) RAB9ATHRBNPC1MAPK1CCR8
SCHEMBL10116115 0.81 EPHX2 (0.58) EPHX2TRPV1
SCHEMBL10115874 0.81 MEN1 (0.58) TRPV1MAPK1

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 EPHX2 2158/4885TRPV1 774/4885RAB9A 3699/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2527/4885TRPV1 534/4885RAB9A 3651/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R EPHX2 2306/4885TRPV1 795/4885RAB9A 3820/4885

“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.