Sugi Predict

Sugi Predict / Compounds / SCHEMBL10114901

SCHEMBL10114901

SCHEMBL10114901

CC(C)S(=O)(=O)NC1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.62
▸ EGFR P00533 1/20 0.55
▸ ERBB4 Q15303 1/20 0.55
▸ RXFP1 Q9HBX9 7/20 0.54
▸ EPHX2 P34913 1/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ UBE2M P61081 3/20 0.51
▸ DCUN1D1 Q96GG9 3/20 0.51
▸ AURKA O14965 2/20 0.51
▸ LCK P06239 1/20 0.51
▸ IGF1R P08069 1/20 0.51
▸ EIF2AK2 P19525 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ BMX P51813 1/20 0.51
▸ LMNA P02545 2/20 0.51
▸ TSHR P16473 2/20 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
SCHEMBL14424377 1.00 KDM4E (0.62) KDM4EEGFRERBB4RXFP1EPHX2
SCHEMBL12882810 0.86 NPY5R (0.53) KDM4ERXFP1EPHX2MEN1KMT2A
SCHEMBL10114143 0.86 NPY5R (0.53) KDM4ERXFP1EPHX2MEN1KMT2A
SCHEMBL10114490 0.86 NPY5R (0.64) KDM4EEGFRERBB4RXFP1EPHX2
SCHEMBL14424163 0.86 NPY5R (0.64) KDM4EEGFRERBB4RXFP1EPHX2
SCHEMBL10114718 0.85 GRIA2 (0.52) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL13204290 0.85 GRIA2 (0.52) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL13204425 0.84 LMNA (0.59) RXFP1ALDH1A1LMNASMN1; SMN2USP2
SCHEMBL10113957 0.84 GRIA2 (0.64) ALDH1A1MAPTLMNASMN1; SMN2USP2
SCHEMBL10113954 0.84 GRIA2 (0.53) ALDH1A1MAPTLMNATSHRSMN1; SMN2

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-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-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 KDM4E 1668/4885EGFR 433/4885ERBB4 548/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1627/4885EGFR 601/4885ERBB4 728/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R KDM4E 1653/4885EGFR 415/4885ERBB4 528/4885

“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.