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SCHEMBL10115341

SCHEMBL10115341

CCc1cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 2/20 0.46
▸ LMNA P02545 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HDAC6 Q9UBN7 7/20 0.40
▸ HTT P42858 1/20 0.39
▸ HDAC3 O15379 4/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ HDAC2 Q92769 4/20 0.39
▸ HDAC10 Q969S8 4/20 0.39
▸ HDAC11 Q96DB2 4/20 0.39
▸ HDAC8 Q9BY41 4/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ F2R P25116 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 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
SCHEMBL10115121 0.88 GSTO1 (0.47) GSTO1LMNAALDH1A1HDAC6HTT
SCHEMBL13204548 0.88 GSTO1 (0.47) GSTO1LMNAALDH1A1HDAC6HTT
SCHEMBL10115570 0.86 GSTO1 (0.43) GSTO1LMNAALDH1A1HDAC6HTT
SCHEMBL10115214 0.86 AR (0.47) GSTO1LMNAALDH1A1HDAC6HTT
SCHEMBL10115281 0.85 F2 (0.46) GSTO1LMNAALDH1A1HTTHDAC1
SCHEMBL13565263 0.84 CNR2 (0.48) GSTO1MAPT
SCHEMBL10113642 0.82 ALDH1A1 (0.51) LMNAALDH1A1HDAC6HTTHDAC1
SCHEMBL10115223 0.81 HDAC6 (0.48) LMNAALDH1A1HDAC6HTTHDAC3
SCHEMBL10114966 0.80 HDAC6 (0.60) LMNAALDH1A1HDAC6HDAC3HDAC1
SCHEMBL10115103 0.80 HDAC6 (0.63) LMNAALDH1A1HDAC6HTTHDAC3

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 GSTO1 4471/4885LMNA 1925/4885ALDH1A1 4558/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GSTO1 4516/4885LMNA 2068/4885ALDH1A1 4599/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R GSTO1 4447/4885LMNA 1857/4885ALDH1A1 4517/4885

“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.