Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116441

SCHEMBL10116441

SCHEMBL10116441

Cc1c(C(F)(F)F)cnc(NC(=O)c2ccc(NS(=O)(=O)C(C)(C)C)cc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 5/20 0.45
▸ TRPV1 Q8NER1 5/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39
▸ KCNE1 P15382 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ GALK1 P51570 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL10116759 0.86 PTK2 (0.45) PTK2TRPV1MEN1KMT2AMAPT
SCHEMBL10116327 0.81 MAPT (0.43) TRPV1MEN1KMT2AMAPTTRPV4
SCHEMBL11936058 0.79 PTK2 (0.40) PTK2BRD4
SCHEMBL10116351 0.77 KMT2A (0.51) TRPV1MEN1KMT2AMAPTTRPV4
SCHEMBL10116377 0.76 PTGS1 (0.62) TRPV1MAPTTRPV4NPC1RAB9A
SCHEMBL10114489 0.76 TRPV1 (0.68) TRPV1MEN1KMT2AMAPTTRPV4
SCHEMBL10116199 0.75 SMN1; SMN2 (0.60) MAPTHTTHDAC1SMN1; SMN2LMNA
SCHEMBL10116240 0.75 MEN1 (0.55) TRPV1MEN1KMT2AMAPTNPC1
SCHEMBL10116366 0.74 MAPT (0.51) TRPV1MEN1KMT2AMAPTNPC1
SCHEMBL10116438 0.73 MAPT (0.46) TRPV1MEN1KMT2AMAPTTRPV4

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 PTK2 2531/4885TRPV1 774/4885MEN1 2876/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PTK2 2640/4885TRPV1 534/4885MEN1 2932/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R PTK2 2465/4885TRPV1 795/4885MEN1 2926/4885

“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.