SCHEMBL4120091

SCHEMBL4120091

CC(=O)OCc1c(F)cc(F)cc1OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.46
MMP2 P08253 4/20 0.46
MMP9 P14780 3/20 0.46
MMP12 P39900 3/20 0.46
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
CA2 P00918 1/20 0.41
ALDH1A1 P00352 4/20 0.36
TNFSF11 O14788 1/20 0.34
RIPK1 Q13546 1/20 0.34
KDM4E B2RXH2 3/20 0.33
CFD P00746 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
MAOB P27338 1/20 0.33
CYP3A4 P08684 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL25840103 0.86 MMP1 (0.49) MMP1MMP2MMP9MMP12CYP4F2
SCHEMBL6907476 0.81 CYP4F2 (0.43) MMP1MMP2MMP9MMP12CYP4F2
SCHEMBL1998350 0.75 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1TNFSF11RIPK1
SCHEMBL24436813 0.74 ERN1 (0.46) CYP4F2CYP4A11ALDH1A1TNFSF11KDM4E
SCHEMBL6906606 0.73 CYP4F2 (0.45) MMP1MMP2MMP9MMP12CYP4F2
SCHEMBL25840110 0.73 RAD52 (0.42) MMP1MMP2MMP9MMP12CYP4F2
SCHEMBL1394359 0.73 CA2 (0.46) MMP1MMP2MMP9MMP12CYP4F2
SCHEMBL13034140 0.72 ALDH1A1 (0.42) MMP1MMP2MMP9MMP12CYP4F2
SCHEMBL13034093 0.71 RIPK1 (0.46) MMP1MMP2MMP9MMP12CYP4F2
SCHEMBL1787181 0.71 MMP1 (0.51) MMP1MMP2MMP9MMP12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2018-12-11 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2017-04-27 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-9394278-B2 Substituted triazole derivatives as oxytocin antagonists IXCHELSIS LIMITED (GB) 2016-07-19 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2015-11-12 US disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists PFIZER INC 2009-10-08 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
US-7557131-B2 Substituted triazole derivatives as oxytocin antagonists PFIZER INC (US) 2009-07-07 US disclosed
EP-1841758-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS Pfizer Limited (GB) 2007-10-10 EP disclosed
WO-2006077496-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS PFIZER LIMITED (GB) 2006-07-27 WO disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 US disclosed
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists PFIZER INC 2006-07-20 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 (5 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-20170114040-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR MMP1 4479/4885MMP2 3371/4885MMP9 4206/4885
US-20150322042-A1 SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS OXTR, AVPR1B, GNRHR MMP1 4479/4885MMP2 3371/4885MMP9 4206/4885
US-20060160786-A1 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR MMP1 4479/4885MMP2 3371/4885MMP9 4206/4885
US-20090253674-A1 Substituted Triazole Derivatives As Oxytocin Antagonists OXTR, AVPR1B, GNRHR MMP1 4479/4885MMP2 3371/4885MMP9 4206/4885
US-10150752-B2 Substituted triazole derivatives as oxytocin antagonists OXTR, AVPR1B, GNRHR MMP1 4479/4885MMP2 3371/4885MMP9 4206/4885

“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.