Sugi Predict

Sugi Predict / Compounds / SCHEMBL10112974

SCHEMBL10112974

SCHEMBL10112974

CCCCc1ccc(NC(=O)N2CCC(N[S+]([O-])C(C)(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.55
▸ LMNA P02545 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPY5R Q15761 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ COL1A1 P02452 1/20 0.42

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
SCHEMBL10113024 0.83 POLB (0.54) LMNANPSR1NPC1RAB9AHPGD
SCHEMBL10113007 0.83 POLB (0.54) LMNANPSR1NPC1RAB9AHPGD
SCHEMBL598185 0.82 CNR2 (0.55) CNR2LMNANPSR1TRPV1KMT2A
SCHEMBL10112952 0.81 HPGD (0.46) CNR2LMNANPC1RAB9AHPGD
SCHEMBL10113025 0.81 HPGD (0.46) CNR2LMNANPC1RAB9AHPGD
SCHEMBL597459 0.80 CNR2 (0.56) CNR2LMNANPSR1NPC1RAB9A
SCHEMBL26553911 0.77 SPHK1 (0.61) CNR2LMNAEPHX1EPHX2
SCHEMBL25403136 0.76 EPHX2 (0.60) CNR2LMNANPSR1NPC1RAB9A
SCHEMBL10134393 0.76 PLK1 (0.48) HPGDTRPV1TP53EPHX1EPHX2
SCHEMBL10113045 0.76 PLK1 (0.48) HPGDTRPV1TP53EPHX1EPHX2

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 CNR2 29/4885LMNA 1925/4885NPSR1 7/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 30/4885LMNA 2068/4885NPSR1 8/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R CNR2 29/4885LMNA 1857/4885NPSR1 7/4885

“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.