Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114525

SCHEMBL10114525

SCHEMBL10114525

CC(C)(C)S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2C2CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.46
▸ PANK3 Q9H999 1/20 0.46
▸ KMT2A Q03164 3/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MLYCD O95822 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ CNR2 P34972 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ BRD4 O60885 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
SCHEMBL10116379 0.88 HTT (0.45) HTTPANK3KMT2AALDH1A1NPC1
SCHEMBL10114519 0.85 KMT2A (0.60) KMT2AALDH1A1NPC1RAB9ACYP1A2
SCHEMBL10116656 0.84 HTT (0.46) HTTPANK3KMT2AALDH1A1NPC1
SCHEMBL10114516 0.81 KMT2A (0.50) HTTPANK3KMT2ANPC1RAB9A
SCHEMBL10116374 0.81 KMT2A (0.55) KMT2AALDH1A1NPC1RAB9ACYP1A2
SCHEMBL13369996 0.80 NPC1 (0.43) HTTKMT2AALDH1A1NPC1RAB9A
SCHEMBL10116358 0.79 HTT (0.50) HTTPANK3KMT2AALDH1A1SMN1; SMN2
SCHEMBL11935320 0.78 HRH3 (0.38) ALDH1A1SMN1; SMN2MAPTSSTR3LMNA
SCHEMBL10116359 0.77 NPC1 (0.55) KMT2ANPC1RAB9ACYP1A2HPGD
SCHEMBL13566054 0.76 HPGD (0.51) KMT2AALDH1A1NPC1RAB9ACYP1A2

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 HTT 2081/4885PANK3 4424/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 1904/4885PANK3 4296/4885KMT2A 2768/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R HTT 2095/4885PANK3 4362/4885KMT2A 2953/4885

“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.