Sugi Predict

Sugi Predict / Compounds / SCHEMBL10116587

SCHEMBL10116587

SCHEMBL10116587

Cc1c(NC(=O)c2ccc(NS(=O)(=O)C(C)C)cc2)ccc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 14/20 0.50
▸ NPC1 O15118 12/20 0.50
▸ SMN1; SMN2 Q16637 7/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL10116551 0.91 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NPSR1MEN1
SCHEMBL10116279 0.85 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NPSR1MEN1
SCHEMBL10116560 0.81 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NPSR1MEN1
SCHEMBL13566102 0.79 MEN1 (0.38) SMN1; SMN2NPSR1MEN1KMT2ALMNA
SCHEMBL10116278 0.76 RAB9A (0.50) RAB9ANPC1SMN1; SMN2NPSR1MEN1
SCHEMBL10116592 0.75 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10116604 0.74 RAB9A (0.41) RAB9ANPC1SMN1; SMN2NPSR1MEN1
SCHEMBL10116554 0.74 RAB9A (0.76) RAB9ANPC1SMN1; SMN2NPSR1MEN1
SCHEMBL10116539 0.73 MAP1LC3B (0.42) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL10116591 0.73 LMNA (0.40) RAB9ANPC1SMN1; SMN2NPSR1MEN1

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 RAB9A 3699/4885NPC1 1435/4885SMN1; SMN2 2213/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3651/4885NPC1 1353/4885SMN1; SMN2 2197/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R RAB9A 3820/4885NPC1 1462/4885SMN1; SMN2 2251/4885

“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.