Sugi Predict

Sugi Predict / Compounds / SCHEMBL10113019

SCHEMBL10113019

SCHEMBL10113019

CCCCc1ccc(NC(=O)CCCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.60
▸ LMNA P02545 5/20 0.60
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ HTT P42858 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ MMP2 P08253 4/20 0.53
▸ ADAMTS4 O75173 1/20 0.53
▸ MMP13 P45452 1/20 0.53
▸ MMP14 P50281 1/20 0.53
▸ ADAMTS5 Q9UNA0 1/20 0.53
▸ SGMS1 Q86VZ5 3/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51

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
SCHEMBL12864654 0.89 ALDH1A1 (0.63) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL13564842 0.85 CA12 (0.52) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL4594049 0.83 ALDH1A1 (0.76) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL5319266 0.79 HDAC3 (0.72) ALDH1A1LMNASMN1; SMN2RAB9AHDAC3
SCHEMBL2171203 0.78 HDAC1 (0.71) ALDH1A1HTTSMN1; SMN2MMP2RAB9A
SCHEMBL20282176 0.78 MMP2 (0.64) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL10112999 0.77 NPY5R (0.51) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL10113403 0.77 HDAC6 (0.59) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL10113692 0.77 HDAC6 (0.59) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL4521900 0.77 ALDH1A1 (0.74) ALDH1A1LMNASMN1; SMN2MMP2ADAMTS4

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 9 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-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-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 (2 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 ALDH1A1 4558/4885LMNA 1925/4885KMT2A 2912/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885LMNA 2068/4885KMT2A 2768/4885

“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.