SCHEMBL971738

SCHEMBL971738

NC(=O)[C@H](CO)NCCCCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
NMT1 P30419 6/20 0.41
NMT2 O60551 5/20 0.41
EPHX1 P07099 2/20 0.39
KDM5A P29375 2/20 0.38
PHF8 Q9UPP1 2/20 0.38
KDM2A Q9Y2K7 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM4A O75164 1/20 0.38

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
SCHEMBL10431763 0.89 BCHE (0.44) BCHESIGMAR1NMT1NMT2EPHX1
SCHEMBL8043092 0.78 NAAA (0.36) BCHEEPHX1
SCHEMBL9425883 0.77 CTSS (0.45) BCHESIGMAR1NMT1NMT2EPHX1
SCHEMBL8061028 0.77 SIGMAR1 (0.40) BCHESIGMAR1EPHX1
SCHEMBL8055986 0.77 NAAA (0.37) BCHEEPHX1
SCHEMBL10760331 0.76 TSHR (0.52) BCHESIGMAR1NMT1NMT2EPHX1
SCHEMBL4620970 0.74 BCHE (0.45) BCHESIGMAR1NMT1NMT2EPHX1
SCHEMBL4621576 0.74 BCHE (0.45) BCHESIGMAR1NMT1NMT2EPHX1
SCHEMBL8056055 0.73 METAP2 (0.48) BCHESIGMAR1NMT1NMT2EPHX1
SCHEMBL8055782 0.73 NPC1 (0.34) EPHX1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868032-B2 Prostamide receptor antagonists ALLERGAN, INC. (US) 2011-01-11 US disclosed
US-20080096240-A1 NOVEL PROSTAMIDE RECEPTOR ANTAGONISTS WOODWARD DAVID F 2008-04-24 US disclosed
US-6114534-A REACTING A KETONE DERIVATIVE OF CARBAMOYL SUBSTITUTED HETEROCYCLE WITH PHOSPHORANE, FOLLOWED BY ACIDIFICATION TO FORM AN ANTICOAGULANT ELI LILLY AND COMPANY (US) 2000-09-05 US disclosed
US-6075147-A OMEGA-PHENYL-OMEGA-(3-PYRIDYL)-OMEGA-ALKENOIC ACID DERIVATIVES BEARING A CARBAMOYL SUBSTITUTED OXAZOLYL OR OXAZOLINYL GROUP ON THE PHENYL RING IS USEFUL FOR THROMBOXANE RECEPTOR ANTAGONSIM OR THROMBOXANE SYNTHASE INHIBITOR ELI LILLY AND COMPANY (US) 2000-06-13 US disclosed
US-6031095-A Intermediates in the preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-5990308-A Intermediates in the preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1999-11-23 US disclosed
US-5849922-A Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-12-15 US disclosed
US-5849766-A Carbamoyl substituted heterocycles ELI LILLY AND COMPANY (US) 1998-12-15 US disclosed
US-5827868-A Prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1998-10-27 US disclosed
EP-0816361-A2 Preparation of substituted alkenoic acids ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0811621-A2 Carbamoyl substituted oxazoles as thromboxane receptor antagonists ELI LILLY AND COMPANY (US) 1997-12-10 EP disclosed
US-5550248-A Substituted stryl heterocyclic amido prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1996-08-27 US disclosed
US-5290799-A 7-oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1994-03-01 US disclosed
US-5280034-A Bis-heterocyclic prostaglandin analogs E. R. SQUIBB & SONS, INC. (US) 1994-01-18 US disclosed
EP-0544287-A1 Gem-dialkyl-7-oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1993-06-02 EP disclosed
EP-0536713-A1 Oxazole and imidazole derivatives as prostaglandin analogs E.R. SQUIBB & SONS, INC. (US) 1993-04-14 EP disclosed
US-5153327-A 7-Oxabicycloheptyl substituted heterocyclic amide or ester prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E. R. SQUIBB & SONS, INC. (US) 1992-10-06 US disclosed
US-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed
EP-0476994-A1 7-Oxabicycloheptyl substituted heterocyclic thioamide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1992-03-25 EP disclosed
EP-0374952-A2 7-Oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1990-06-27 EP 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 (1 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-20080096240-A1 NOVEL PROSTAMIDE RECEPTOR ANTAGONISTS PTGIR, PTGER1, TBXA2R BCHE 3412/4885SIGMAR1 461/4885NMT1 1190/4885

“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.