Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114068

SCHEMBL10114068

SCHEMBL10114068

CCCCOc1ccc(NC(=O)C2CCC(NS(=O)(=O)C(C)C)CC2)cn1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ FLT3 P36888 4/20 0.43
▸ TYRO3 Q06418 4/20 0.43
▸ MERTK Q12866 4/20 0.43
▸ GAS6 Q14393 4/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ ACACB O00763 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ENPP3 O14638 2/20 0.40
▸ ENPP1 P22413 2/20 0.40
▸ ENPP2 Q13822 2/20 0.40
▸ ACACA Q13085 1/20 0.40
▸ ELOVL6 Q9H5J4 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL10114215 0.92 L3MBTL1 (0.46) L3MBTL1MAPTFLT3TYRO3MERTK
SCHEMBL10113998 0.87 KMT2A (0.53) MAPTACACBKMT2ANPSR1ENPP3
SCHEMBL10113299 0.86 NPY5R (0.52) L3MBTL1MAPTFLT3TYRO3MERTK
SCHEMBL13203814 0.86 NPY5R (0.52) L3MBTL1MAPTFLT3TYRO3MERTK
SCHEMBL13972912 0.84 L3MBTL1 (0.54) L3MBTL1MAPTFLT3TYRO3MERTK
SCHEMBL10114066 0.83 KMT2A (0.41) L3MBTL1MAPTACACBKMT2ANPSR1
SCHEMBL10114061 0.82 THRB (0.50) MAPTNPSR1
SCHEMBL10114069 0.82 KMT2A (0.57) MAPTGABRA5ACACBKMT2A
SCHEMBL13565593 0.82 MEN1 (0.36) TYRO3MERTKKMT2AMEN1POLB
SCHEMBL13370150 0.81 L3MBTL1 (0.55) L3MBTL1MAPTGABRA5ACACBKMT2A

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 L3MBTL1 3267/4885MAPT 3602/4885FLT3 831/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 2541/4885MAPT 3367/4885FLT3 864/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 3389/4885MAPT 3683/4885FLT3 814/4885

“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.