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SCHEMBL10114957

SCHEMBL10114957

CC(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc(F)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ ENPP3 O14638 3/20 0.49
▸ ENPP1 P22413 2/20 0.49
▸ ENPP2 Q13822 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ NAMPT P43490 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ FAAH O00519 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44

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
SCHEMBL10113927 1.00 KMT2A (0.54) KMT2AENPP3ENPP1ENPP2MAPT
SCHEMBL10114938 0.88 PTPN1 (0.56) KMT2AENPP3ENPP1ENPP2NAMPT
SCHEMBL10133540 0.88 NAMPT (0.50) KMT2AMAPTNAMPTNPSR1EPHX2
SCHEMBL10114691 0.88 ALDH1A1 (0.55) KMT2AENPP3ENPP1ENPP2MAPT
SCHEMBL13204270 0.88 ALDH1A1 (0.55) KMT2AENPP3ENPP1ENPP2MAPT
SCHEMBL13204426 0.88 PTPN1 (0.56) KMT2AENPP3ENPP1ENPP2NAMPT
SCHEMBL10113958 0.88 NAMPT (0.66) KMT2AMAPTNAMPTNPSR1SMN1; SMN2
SCHEMBL14424190 0.87 GRIA4 (0.45) KMT2AMAPTNAMPTNPSR1NPC1
SCHEMBL10114861 0.87 GRIA4 (0.45) KMT2AMAPTNAMPTNPSR1NPC1
SCHEMBL10113961 0.87 NAMPT (0.49) KMT2AMAPTNAMPTNPSR1TSHR

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 KMT2A 2912/4885ENPP3 3334/4885ENPP1 3255/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2768/4885ENPP3 3225/4885ENPP1 3059/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KMT2A 2953/4885ENPP3 3416/4885ENPP1 3327/4885

“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.