SCHEMBL11946647

SCHEMBL11946647

CS(=O)(=O)NCCCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.78
MEN1 O00255 1/20 0.78
KMT2A Q03164 1/20 0.78
PTGFR P43088 13/20 0.73
PTGER3 P43115 5/20 0.73
TBXA2R P21731 3/20 0.51
PTGER1 P34995 3/20 0.51
MGLL Q99685 1/20 0.51
PTGER2 P43116 3/20 0.49
PTGER4 P35408 2/20 0.49
PTGIR P43119 2/20 0.49
NR1I2 O75469 1/20 0.49
ESR1 P03372 1/20 0.49
PGR P06401 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
OPRK1 P41145 1/20 0.49
PDE4D Q08499 1/20 0.49

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
Sulprostone SCHEMBL94842 0.88 THRB (1.00) THRBMEN1KMT2APTGFRPTGER3
Sulprostone SCHEMBL23352789 0.88 THRB (1.00) THRBMEN1KMT2APTGFRPTGER3
Sulprostone SCHEMBL94843 0.88 THRB (1.00) THRBMEN1KMT2APTGFRPTGER3
Sulprostone SCHEMBL23352669 0.88 THRB (1.00) THRBMEN1KMT2APTGFRPTGER3
Sulprostone SCHEMBL15389929 0.88 THRB (1.00) THRBMEN1KMT2APTGFRPTGER3
Sulprostone SCHEMBL23353043 0.88 THRB (1.00) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL4303639 0.84 PTGFR (1.00) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL4303634 0.84 PTGFR (1.00) THRBMEN1KMT2APTGFRPTGER3
SCHEMBL11337829 0.83 PTGFR (0.78) THRBMEN1KMT2APTGFRPTGER3
Sulprostone SCHEMBL8682594 0.83 THRB (0.90) THRBMEN1KMT2APTGFRPTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802596-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-12 US disclosed
US-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 US disclosed
US-8232265-B2 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-07-31 US disclosed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 US disclosed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 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 (2 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK THRB 4067/4885MEN1 3114/4885KMT2A 4574/4885
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients SLC5A6, PNLIP, IPMK THRB 4067/4885MEN1 3114/4885KMT2A 4574/4885

“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.