Sugi Predict

Sugi Predict / Compounds / SCHEMBL9936699

SCHEMBL9936699

SCHEMBL9936699

CCOC(=O)c1c(C)[nH]c2ccc(F)c(F)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.53
▸ NPC1 O15118 5/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ PKM P14618 1/20 0.45
▸ HCRTR1 O43613 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CHRM2 P08172 2/20 0.44
▸ CHRM4 P08173 2/20 0.44
▸ CHRM5 P08912 2/20 0.44
▸ CHRM1 P11229 2/20 0.44
▸ CHRM3 P20309 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 2/20 0.43

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
SCHEMBL9937270 0.83 NPC1 (0.52) GAANPC1KMT2ARAB9AHPGD
SCHEMBL15546942 0.80 PKM (0.39) GAANPC1KMT2ARAB9AHPGD
SCHEMBL1997194 0.76 CA12 (0.53) GAANPC1KMT2ARAB9AHPGD
SCHEMBL8108715 0.76 KDM4E (0.42) GAANPC1KMT2ARAB9AHPGD
SCHEMBL25943377 0.75 GAA (0.54) GAANPC1KMT2ARAB9AHPGD
SCHEMBL9937467 0.74 GAA (0.72) GAANPC1KMT2ARAB9AHPGD
SCHEMBL28175200 0.74 GAA (0.50) GAANPC1KMT2ARAB9AHPGD
SCHEMBL11614683 0.74 GAA (0.50) GAANPC1KMT2ARAB9AHPGD
SCHEMBL7832805 0.73 TSHR (0.62) GAAKMT2AHPGDMEN1TSHR
SCHEMBL29037249 0.72 TSHR (0.52) GAAKMT2AHPGDMAPK1MEN1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 — — US disclosed
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2018-11-15 — — US disclosed
US-10125145-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-11-13 — — US disclosed
EP-3312169-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2018-04-25 — — EP disclosed
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 — — US disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 — — US disclosed
US-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 — — US disclosed
US-9670229-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-06 — — US disclosed
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2016-09-01 — — US disclosed
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 — — US disclosed
EP-2875012-A1 5HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2015-05-27 — — EP disclosed
EP-2875011-A1 5-HT3 RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2015-05-27 — — EP disclosed
US-9012447-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-21 — — US disclosed
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 — — US disclosed
WO-2014014962-A1 5HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 — — WO disclosed
WO-2014014951-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. (US) 2014-01-23 — — WO disclosed
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 — — US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 — — US disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 — — EP disclosed
WO-2012080271-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2012-06-21 — — WO 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 (9 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-10407443-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A GAA 1758/4885NPC1 2328/4885KMT2A 3143/4885
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B GAA 1774/4885NPC1 2907/4885KMT2A 2562/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A GAA 1758/4885NPC1 2328/4885KMT2A 3143/4885
US-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 GAA 1947/4885NPC1 2844/4885KMT2A 3845/4885
US-20180327421-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A GAA 1758/4885NPC1 2328/4885KMT2A 3143/4885
US-20140024644-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A GAA 1758/4885NPC1 2328/4885KMT2A 3143/4885
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A GAA 1767/4885NPC1 2960/4885KMT2A 2286/4885
US-20160251373-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A GAA 1758/4885NPC1 2328/4885KMT2A 3143/4885
US-10125145-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A GAA 1758/4885NPC1 2328/4885KMT2A 3143/4885

“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.